4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine

C17H34N2 — CID 55249988

IUPAC4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCCC(C)CC2)C1
InChIInChI=1S/C17H34N2/c1-4-15-7-8-17(18-3)16(12-15)13-19-10-5-6-14(2)9-11-19/h14-18H,4-13H2,1-3H3
InChIKeyXXQJQVSLKVMJTF-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds4

About 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine

4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine (PubChem CID 55249988) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
PubChem CID55249988
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCCC(C)CC2)C1
InChIInChI=1S/C17H34N2/c1-4-15-7-8-17(18-3)16(12-15)13-19-10-5-6-14(2)9-11-19/h14-18H,4-13H2,1-3H3
InChIKeyXXQJQVSLKVMJTF-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63623585
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610320
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
2-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 62609502
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
4-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 83222012
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094286
4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616060
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine (CID 55249988) is 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine is CCC1CCC(NC)C(CN2CCCC(C)CC2)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is XXQJQVSLKVMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-15-7-8-17(18-3)16(12-15)13-19-10-5-6-14(2)9-11-19/h14-18H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55249988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).