2-(aminomethyl)-N-octylcyclopentan-1-amine

C14H30N2 — CID 115566940

IUPAC2-(aminomethyl)-N-octylcyclopentan-1-amine
SMILESCCCCCCCCNC1CCCC1CN
InChIInChI=1S/C14H30N2/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(14)12-15/h13-14,16H,2-12,15H2,1H3
InChIKeyWVOXXAALWUWSPJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.06
Rot. Bonds9

About 2-(aminomethyl)-N-octylcyclopentan-1-amine

2-(aminomethyl)-N-octylcyclopentan-1-amine (PubChem CID 115566940) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-octylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-octylcyclopentan-1-amine
PubChem CID115566940
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(aminomethyl)-N-octylcyclopentan-1-amine
SMILESCCCCCCCCNC1CCCC1CN
InChIInChI=1S/C14H30N2/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(14)12-15/h13-14,16H,2-12,15H2,1H3
InChIKeyWVOXXAALWUWSPJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577
trans-(1R,2R)-2-N-hexylcyclohexane-1,2-diamine;dihydrochloride
CID 139240198
3-[(2-hexylcyclopentyl)amino]propan-1-ol
CID 115705219
7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
CID 10041163
trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
CID 126847778
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-chloro-N-nonylcyclohexan-1-amine
CID 65025435
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-methyl-N-octylthian-3-amine
CID 115567011

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-octylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-octylcyclopentan-1-amine (CID 115566940) is 2-(aminomethyl)-N-octylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-octylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-octylcyclopentan-1-amine is CCCCCCCCNC1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-octylcyclopentan-1-amine?
The InChIKey is WVOXXAALWUWSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(14)12-15/h13-14,16H,2-12,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-octylcyclopentan-1-amine?
2-(aminomethyl)-N-octylcyclopentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-octylcyclopentan-1-amine is sourced from PubChem (CID 115566940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).