2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide

C17H34N2O — CID 106592764

IUPAC2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
SMILESCC(C)CCCC(C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H34N2O/c1-12(2)7-5-8-13(3)19-17(20)14(4)15-9-6-10-16(18)11-15/h12-16H,5-11,18H2,1-4H3,(H,19,20)
InChIKeyHARUTVYHMXOHHH-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide

2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide (PubChem CID 106592764) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
PubChem CID106592764
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
SMILESCC(C)CCCC(C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H34N2O/c1-12(2)7-5-8-13(3)19-17(20)14(4)15-9-6-10-16(18)11-15/h12-16H,5-11,18H2,1-4H3,(H,19,20)
InChIKeyHARUTVYHMXOHHH-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
CID 106592825
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
CID 106592741
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
[(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid
CID 69263152
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide
CID 106593005
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 106593096

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide (CID 106592764) is 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide is CC(C)CCCC(C)NC(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide?
The InChIKey is HARUTVYHMXOHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)7-5-8-13(3)19-17(20)14(4)15-9-6-10-16(18)11-15/h12-16H,5-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide?
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide is sourced from PubChem (CID 106592764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).