tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine

C41H60N4O2 — CID 160686068

IUPACtert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
SMILESC/C(=C\c1ccccc1)C1CC1NC1CCC(N)CC1.C/C(=C\c1ccccc1)C1CC1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H34N2O2.C18H26N2/c1-16(14-17-8-6-5-7-9-17)20-15-21(20)24-18-10-12-19(13-11-18)25-22(26)27-23(2,3)4;1-13(11-14-5-3-2-4-6-14)17-12-18(17)20-16-9-7-15(19)8-10-16/h5-9,14,18-21,24H,10-13,15H2,1-4H3,(H,25,26);2-6,11,15-18,20H,7-10,12,19H2,1H3/b16-14+;13-11+
InChIKeyROTXFJCQUWHEGK-MZLVRDEMSA-N
MW640.96 g/mol
LogP8.24
Rot. Bonds9

About tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine

tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 160686068) has the molecular formula C41H60N4O2 and a molecular weight of 640.96 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
PubChem CID160686068
Molecular FormulaC41H60N4O2
Molecular Weight640.96 g/mol
Exact Mass640.47
IUPAC Nametert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
SMILESC/C(=C\c1ccccc1)C1CC1NC1CCC(N)CC1.C/C(=C\c1ccccc1)C1CC1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H34N2O2.C18H26N2/c1-16(14-17-8-6-5-7-9-17)20-15-21(20)24-18-10-12-19(13-11-18)25-22(26)27-23(2,3)4;1-13(11-14-5-3-2-4-6-14)17-12-18(17)20-16-9-7-15(19)8-10-16/h5-9,14,18-21,24H,10-13,15H2,1-4H3,(H,25,26);2-6,11,15-18,20H,7-10,12,19H2,1H3/b16-14+;13-11+
InChIKeyROTXFJCQUWHEGK-MZLVRDEMSA-N
XLogP8.24
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.96
LogP ≤ 58.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 138677638
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
CID 122641323
2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetic acid
CID 122641059
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
methyl 2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 122641007
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]azetidin-3-amine
CID 122641214
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl 2,2-dimethyl-3-[[4-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]propanoate
CID 138712113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine (CID 160686068) is tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine is C/C(=C\c1ccccc1)C1CC1NC1CCC(N)CC1.C/C(=C\c1ccccc1)C1CC1NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is ROTXFJCQUWHEGK-MZLVRDEMSA-N. The full InChI is InChI=1S/C23H34N2O2.C18H26N2/c1-16(14-17-8-6-5-7-9-17)20-15-21(20)24-18-10-12-19(13-11-18)25-22(26)27-23(2,3)4;1-13(11-14-5-3-2-4-6-14)17-12-18(17)20-16-9-7-15(19)8-10-16/h5-9,14,18-21,24H,10-13,15H2,1-4H3,(H,25,26);2-6,11,15-18,20H,7-10,12,19H2,1H3/b16-14+;13-11+.
What are the key properties of tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine?
tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 640.96 g/mol, XLogP of 8.24, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 160686068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).