3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide

C17H32N2O — CID 80701268

IUPAC3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
SMILESCC1CCCCCC1NC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-13-6-3-2-4-9-16(13)19-17(20)11-10-14-7-5-8-15(18)12-14/h13-16H,2-12,18H2,1H3,(H,19,20)
InChIKeyBNPLTSZRNMYZLW-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.37
Rot. Bonds4

About 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide

3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide (PubChem CID 80701268) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
PubChem CID80701268
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
SMILESCC1CCCCCC1NC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-13-6-3-2-4-9-16(13)19-17(20)11-10-14-7-5-8-15(18)12-14/h13-16H,2-12,18H2,1H3,(H,19,20)
InChIKeyBNPLTSZRNMYZLW-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308
3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 80700576
N-(2-methylcyclohexyl)-3-piperidin-4-ylpropanamide
CID 62210845
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)butanamide
CID 47005567
3-(3-aminocyclohexyl)-N-piperidin-1-ylpropanamide
CID 83024895
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
CID 62955195
3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 114551074
N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
CID 106444163

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide (CID 80701268) is 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide is CC1CCCCCC1NC(=O)CCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide?
The InChIKey is BNPLTSZRNMYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-6-3-2-4-9-16(13)19-17(20)11-10-14-7-5-8-15(18)12-14/h13-16H,2-12,18H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide?
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide has a molecular weight of 280.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide is sourced from PubChem (CID 80701268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).