[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine

C16H32N2 — CID 104690316

IUPAC[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCCCCN1CC1CCCCC1CN
InChIInChI=1S/C16H32N2/c1-2-16-10-4-3-7-11-18(16)13-15-9-6-5-8-14(15)12-17/h14-16H,2-13,17H2,1H3
InChIKeyMQTKQLPZUWCTFI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.41
Rot. Bonds4

About [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine

[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 104690316) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
PubChem CID104690316
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCCCCN1CC1CCCCC1CN
InChIInChI=1S/C16H32N2/c1-2-16-10-4-3-7-11-18(16)13-15-9-6-5-8-14(15)12-17/h14-16H,2-13,17H2,1H3
InChIKeyMQTKQLPZUWCTFI-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690353
2-[(2-ethylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615870
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
3-[(2-ethylpiperidin-1-yl)methyl]-1-methylpiperidin-4-amine
CID 82171534
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
CID 104690414
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
5-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865483
1,2-diethylpiperidine
CID 19604037
5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 104692099
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane
CID 82564943

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine (CID 104690316) is [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine is CCC1CCCCCN1CC1CCCCC1CN.
What is the InChIKey of [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is MQTKQLPZUWCTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-16-10-4-3-7-11-18(16)13-15-9-6-5-8-14(15)12-17/h14-16H,2-13,17H2,1H3.
What are the key properties of [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 104690316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).