N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine

C18H36N2 — CID 104689498

IUPACN,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1N1CCCCCC1CC
InChIInChI=1S/C18H36N2/c1-4-15-11-12-17(19-6-3)18(14-15)20-13-9-7-8-10-16(20)5-2/h15-19H,4-14H2,1-3H3
InChIKeyQECJKHYJNKLJJK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds5

About N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine

N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine (PubChem CID 104689498) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
PubChem CID104689498
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1N1CCCCCC1CC
InChIInChI=1S/C18H36N2/c1-4-15-11-12-17(19-6-3)18(14-15)20-13-9-7-8-10-16(20)5-2/h15-19H,4-14H2,1-3H3
InChIKeyQECJKHYJNKLJJK-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine (CID 104689498) is N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine is CCNC1CCC(CC)CC1N1CCCCCC1CC.
What is the InChIKey of N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine?
The InChIKey is QECJKHYJNKLJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-15-11-12-17(19-6-3)18(14-15)20-13-9-7-8-10-16(20)5-2/h15-19H,4-14H2,1-3H3.
What are the key properties of N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine?
N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 104689498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).