N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine

C16H32N2 — CID 64678090

IUPACN-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
SMILESCN(CCC1(N)CCCCC1)C1CCCCCC1
InChIInChI=1S/C16H32N2/c1-18(15-9-5-2-3-6-10-15)14-13-16(17)11-7-4-8-12-16/h15H,2-14,17H2,1H3
InChIKeyPMPXEHAEYQKQFO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine

N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine (PubChem CID 64678090) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
PubChem CID64678090
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
SMILESCN(CCC1(N)CCCCC1)C1CCCCCC1
InChIInChI=1S/C16H32N2/c1-18(15-9-5-2-3-6-10-15)14-13-16(17)11-7-4-8-12-16/h15H,2-14,17H2,1H3
InChIKeyPMPXEHAEYQKQFO-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine (CID 64678090) is N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine is CN(CCC1(N)CCCCC1)C1CCCCCC1.
What is the InChIKey of N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine?
The InChIKey is PMPXEHAEYQKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-18(15-9-5-2-3-6-10-15)14-13-16(17)11-7-4-8-12-16/h15H,2-14,17H2,1H3.
What are the key properties of N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine?
N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine has a molecular weight of 252.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine is sourced from PubChem (CID 64678090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).