tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate

C17H32N2O2 — CID 103785661

IUPACtert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
SMILESCCC(NC1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C17H32N2O2/c1-5-15(12-6-7-12)18-13-8-10-14(11-9-13)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyJXRWOCVFUSNAMK-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.60
Rot. Bonds5

About tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate

tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate (PubChem CID 103785661) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
PubChem CID103785661
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
SMILESCCC(NC1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C17H32N2O2/c1-5-15(12-6-7-12)18-13-8-10-14(11-9-13)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyJXRWOCVFUSNAMK-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
CID 176824150
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
ethyl (3S)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoate
CID 169159887
tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972455
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652
N-(1-cyclopropylpropyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64917545
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 143565004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate (CID 103785661) is tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate is CCC(NC1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1.
What is the InChIKey of tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate?
The InChIKey is JXRWOCVFUSNAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-15(12-6-7-12)18-13-8-10-14(11-9-13)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103785661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).