4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine

C18H36N2 — CID 104691985

IUPAC4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCCCCC2CC)C1
InChIInChI=1S/C18H36N2/c1-4-15-10-11-18(19-3)16(13-15)14-20-12-8-6-7-9-17(20)5-2/h15-19H,4-14H2,1-3H3
InChIKeyRBBRYLCHBXINIQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine

4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 104691985) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID104691985
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCCCCC2CC)C1
InChIInChI=1S/C18H36N2/c1-4-15-10-11-18(19-3)16(13-15)14-20-12-8-6-7-9-17(20)5-2/h15-19H,4-14H2,1-3H3
InChIKeyRBBRYLCHBXINIQ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 63482113
2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 113441645
4-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 83222012
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
CID 104690414
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 55249988
2-[1-[(2-amino-5-ethylcyclohexyl)methyl]piperidin-2-yl]ethanol
CID 55093548
[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690353
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610320

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine (CID 104691985) is 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(CN2CCCCCC2CC)C1.
What is the InChIKey of 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is RBBRYLCHBXINIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-15-10-11-18(19-3)16(13-15)14-20-12-8-6-7-9-17(20)5-2/h15-19H,4-14H2,1-3H3.
What are the key properties of 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 104691985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).