2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine

C14H29N3 — CID 114086704

IUPAC2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine
SMILESCCC1CN(C)CCCN1C1CCCC1NC
InChIInChI=1S/C14H29N3/c1-4-12-11-16(3)9-6-10-17(12)14-8-5-7-13(14)15-2/h12-15H,4-11H2,1-3H3
InChIKeyKFNNBADGZZUUSY-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine

2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine (PubChem CID 114086704) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine
PubChem CID114086704
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine
SMILESCCC1CN(C)CCCN1C1CCCC1NC
InChIInChI=1S/C14H29N3/c1-4-12-11-16(3)9-6-10-17(12)14-8-5-7-13(14)15-2/h12-15H,4-11H2,1-3H3
InChIKeyKFNNBADGZZUUSY-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
CID 113441646
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol
CID 114087668
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylcyclohexan-1-amine
CID 65320543
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
2-(2-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 104689600
trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
CID 67550021
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide
CID 114086580
2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
CID 114086633
[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine
CID 80505275
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 114087578

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine (CID 114086704) is 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine is CCC1CN(C)CCCN1C1CCCC1NC.
What is the InChIKey of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine?
The InChIKey is KFNNBADGZZUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-12-11-16(3)9-6-10-17(12)14-8-5-7-13(14)15-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine?
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 114086704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).