benzyl N-[(1-aminocycloheptyl)methyl]carbamate

C16H24N2O2 — CID 66523425

IUPACbenzyl N-[(1-aminocycloheptyl)methyl]carbamate
SMILESNC1(CNC(=O)OCc2ccccc2)CCCCCC1
InChIInChI=1S/C16H24N2O2/c17-16(10-6-1-2-7-11-16)13-18-15(19)20-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H,18,19)
InChIKeyFECJKOFZSHYZFD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds4

About benzyl N-[(1-aminocycloheptyl)methyl]carbamate

benzyl N-[(1-aminocycloheptyl)methyl]carbamate (PubChem CID 66523425) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl N-[(1-aminocycloheptyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1-aminocycloheptyl)methyl]carbamate
PubChem CID66523425
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl N-[(1-aminocycloheptyl)methyl]carbamate
SMILESNC1(CNC(=O)OCc2ccccc2)CCCCCC1
InChIInChI=1S/C16H24N2O2/c17-16(10-6-1-2-7-11-16)13-18-15(19)20-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H,18,19)
InChIKeyFECJKOFZSHYZFD-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
CID 168763212
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate
CID 58275737
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 171157569
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1-aminocycloheptyl)methyl]carbamate?
The IUPAC name of benzyl N-[(1-aminocycloheptyl)methyl]carbamate (CID 66523425) is benzyl N-[(1-aminocycloheptyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(1-aminocycloheptyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(1-aminocycloheptyl)methyl]carbamate is NC1(CNC(=O)OCc2ccccc2)CCCCCC1.
What is the InChIKey of benzyl N-[(1-aminocycloheptyl)methyl]carbamate?
The InChIKey is FECJKOFZSHYZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-16(10-6-1-2-7-11-16)13-18-15(19)20-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H,18,19).
What are the key properties of benzyl N-[(1-aminocycloheptyl)methyl]carbamate?
benzyl N-[(1-aminocycloheptyl)methyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1-aminocycloheptyl)methyl]carbamate is sourced from PubChem (CID 66523425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).