7-amino-N-(3-methylcyclohexyl)heptanamide

C14H28N2O — CID 43317968

IUPAC7-amino-N-(3-methylcyclohexyl)heptanamide
SMILESCC1CCCC(NC(=O)CCCCCCN)C1
InChIInChI=1S/C14H28N2O/c1-12-7-6-8-13(11-12)16-14(17)9-4-2-3-5-10-15/h12-13H,2-11,15H2,1H3,(H,16,17)
InChIKeyYBKROVZWAQQEOC-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.59
Rot. Bonds7

About 7-amino-N-(3-methylcyclohexyl)heptanamide

7-amino-N-(3-methylcyclohexyl)heptanamide (PubChem CID 43317968) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 7-amino-N-(3-methylcyclohexyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-methylcyclohexyl)heptanamide
PubChem CID43317968
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name7-amino-N-(3-methylcyclohexyl)heptanamide
SMILESCC1CCCC(NC(=O)CCCCCCN)C1
InChIInChI=1S/C14H28N2O/c1-12-7-6-8-13(11-12)16-14(17)9-4-2-3-5-10-15/h12-13H,2-11,15H2,1H3,(H,16,17)
InChIKeyYBKROVZWAQQEOC-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 60850780
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119319062
4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
CID 119889114
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
CID 143974251
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
N-cyclobutylhexadecanamide
CID 67041463

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methylcyclohexyl)heptanamide?
The IUPAC name of 7-amino-N-(3-methylcyclohexyl)heptanamide (CID 43317968) is 7-amino-N-(3-methylcyclohexyl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-methylcyclohexyl)heptanamide?
The canonical SMILES for 7-amino-N-(3-methylcyclohexyl)heptanamide is CC1CCCC(NC(=O)CCCCCCN)C1.
What is the InChIKey of 7-amino-N-(3-methylcyclohexyl)heptanamide?
The InChIKey is YBKROVZWAQQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-7-6-8-13(11-12)16-14(17)9-4-2-3-5-10-15/h12-13H,2-11,15H2,1H3,(H,16,17).
What are the key properties of 7-amino-N-(3-methylcyclohexyl)heptanamide?
7-amino-N-(3-methylcyclohexyl)heptanamide has a molecular weight of 240.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-methylcyclohexyl)heptanamide is sourced from PubChem (CID 43317968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).