tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate

C19H30N2O2 — CID 145307586

IUPACtert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate
SMILESCCC(CCN)N(C(=O)OC(C)(C)C)[C@@H]1CC1c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-5-15(11-12-20)21(18(22)23-19(2,3)4)17-13-16(17)14-9-7-6-8-10-14/h6-10,15-17H,5,11-13,20H2,1-4H3/t15?,16?,17-/m1/s1
InChIKeyTVBDTBKNBYGSPF-OFLPRAFFSA-N
MW318.46 g/mol
LogP3.91
Rot. Bonds6

About tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate

tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate (PubChem CID 145307586) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate
PubChem CID145307586
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate
SMILESCCC(CCN)N(C(=O)OC(C)(C)C)[C@@H]1CC1c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-5-15(11-12-20)21(18(22)23-19(2,3)4)17-13-16(17)14-9-7-6-8-10-14/h6-10,15-17H,5,11-13,20H2,1-4H3/t15?,16?,17-/m1/s1
InChIKeyTVBDTBKNBYGSPF-OFLPRAFFSA-N
XLogP3.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129279853
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
CID 134861468
tert-butyl N-(azetidin-3-ylmethyl)-N-[(2S)-2-phenylcyclopropyl]carbamate
CID 130199105
tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 155265703
tert-butyl N-[(2S)-4-amino-1-phenylbutan-2-yl]-N-methylcarbamate
CID 59475149
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate
CID 123267739
ethyl 2-[5-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]acetate
CID 155633138
tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate
CID 56647662
(2S)-2-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]-3-phenylpropanoic acid
CID 155633155
tert-butyl (3R,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate
CID 98008226

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate (CID 145307586) is tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate is CCC(CCN)N(C(=O)OC(C)(C)C)[C@@H]1CC1c1ccccc1.
What is the InChIKey of tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate?
The InChIKey is TVBDTBKNBYGSPF-OFLPRAFFSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-15(11-12-20)21(18(22)23-19(2,3)4)17-13-16(17)14-9-7-6-8-10-14/h6-10,15-17H,5,11-13,20H2,1-4H3/t15?,16?,17-/m1/s1.
What are the key properties of tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate?
tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 145307586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).