3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine

C14H28N2 — CID 104690414

IUPAC3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCCCCN1CC1CCC(N)C1
InChIInChI=1S/C14H28N2/c1-2-14-6-4-3-5-9-16(14)11-12-7-8-13(15)10-12/h12-14H,2-11,15H2,1H3
InChIKeyOSEZKTSJCSOKHC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds3

About 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine

3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine (PubChem CID 104690414) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
PubChem CID104690414
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCCCCN1CC1CCC(N)C1
InChIInChI=1S/C14H28N2/c1-2-14-6-4-3-5-9-16(14)11-12-7-8-13(15)10-12/h12-14H,2-11,15H2,1H3
InChIKeyOSEZKTSJCSOKHC-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690353
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine
CID 66010510
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
3-[(2-ethylpiperidin-1-yl)methyl]-1-methylpiperidin-4-amine
CID 82171534
1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine
CID 113441755
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
1,2-diethylpiperidine
CID 19604037
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384
2-[(2-ethylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615870

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine (CID 104690414) is 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine is CCC1CCCCCN1CC1CCC(N)C1.
What is the InChIKey of 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is OSEZKTSJCSOKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-14-6-4-3-5-9-16(14)11-12-7-8-13(15)10-12/h12-14H,2-11,15H2,1H3.
What are the key properties of 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine?
3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 104690414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).