2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide

C17H32N2O — CID 81392541

IUPAC2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCCCCC1N)C1CCCCCC1
InChIInChI=1S/C17H32N2O/c1-13(14-9-5-2-3-6-10-14)19-17(20)15-11-7-4-8-12-16(15)18/h13-16H,2-12,18H2,1H3,(H,19,20)/t13-,15?,16?/m0/s1
InChIKeyMLYADPQLVCYJTM-JEYLPNPQSA-N
MW280.46 g/mol
LogP3.37
Rot. Bonds3

About 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide

2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide (PubChem CID 81392541) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
PubChem CID81392541
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCCCCC1N)C1CCCCCC1
InChIInChI=1S/C17H32N2O/c1-13(14-9-5-2-3-6-10-14)19-17(20)15-11-7-4-8-12-16(15)18/h13-16H,2-12,18H2,1H3,(H,19,20)/t13-,15?,16?/m0/s1
InChIKeyMLYADPQLVCYJTM-JEYLPNPQSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
CID 64822459
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82937442
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927341
4-amino-N-(1-cyclohexylethyl)-3-methylcyclohexane-1-carboxamide
CID 55116861
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
CID 64824819
6-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81387090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide (CID 81392541) is 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide is C[C@H](NC(=O)C1CCCCCC1N)C1CCCCCC1.
What is the InChIKey of 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide?
The InChIKey is MLYADPQLVCYJTM-JEYLPNPQSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(14-9-5-2-3-6-10-14)19-17(20)15-11-7-4-8-12-16(15)18/h13-16H,2-12,18H2,1H3,(H,19,20)/t13-,15?,16?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide?
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 81392541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).