N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide

C17H32N2O — CID 106828092

IUPACN-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCNC2CCCCCC2)CCCCC1
InChIInChI=1S/C17H32N2O/c1-17(11-7-4-8-12-17)16(20)19-14-13-18-15-9-5-2-3-6-10-15/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeySULSNFKOQLJDNI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide

N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106828092) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106828092
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCNC2CCCCCC2)CCCCC1
InChIInChI=1S/C17H32N2O/c1-17(11-7-4-8-12-17)16(20)19-14-13-18-15-9-5-2-3-6-10-15/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeySULSNFKOQLJDNI-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide (CID 106828092) is N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCCNC2CCCCCC2)CCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is SULSNFKOQLJDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(11-7-4-8-12-17)16(20)19-14-13-18-15-9-5-2-3-6-10-15/h15,18H,2-14H2,1H3,(H,19,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide?
N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).