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

C16H32N2 — CID 63623585

IUPAC4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCCC(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-3-14-6-7-16(17)15(11-14)12-18-9-4-5-13(2)8-10-18/h13-16H,3-12,17H2,1-2H3
InChIKeyCEJHVUWSFSYEDQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds3

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

4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63623585) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
PubChem CID63623585
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCCC(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-3-14-6-7-16(17)15(11-14)12-18-9-4-5-13(2)8-10-18/h13-16H,3-12,17H2,1-2H3
InChIKeyCEJHVUWSFSYEDQ-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616060
4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 55249988
2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63624498
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine
CID 62609457
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63495460
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine
CID 66235516
4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62615514
2-[(4-ethylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 62609501
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63218173
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine (CID 63623585) is 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine is CCC1CCC(N)C(CN2CCCC(C)CC2)C1.
What is the InChIKey of 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is CEJHVUWSFSYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-14-6-7-16(17)15(11-14)12-18-9-4-5-13(2)8-10-18/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63623585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).