2-[1-(5-iminopentyl)cyclohexyl]ethanamine

C13H26N2 — CID 174474886

IUPAC2-[1-(5-iminopentyl)cyclohexyl]ethanamine
SMILES[H]/N=C/CCCCC1(CCN)CCCCC1
InChIInChI=1S/C13H26N2/c14-11-6-2-5-9-13(10-12-15)7-3-1-4-8-13/h11,14H,1-10,12,15H2/b14-11+
InChIKeyAPUKQLZCNCPKSR-SDNWHVSQSA-N
MW210.36 g/mol
LogP3.50
Rot. Bonds7

About 2-[1-(5-iminopentyl)cyclohexyl]ethanamine

2-[1-(5-iminopentyl)cyclohexyl]ethanamine (PubChem CID 174474886) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-[1-(5-iminopentyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-iminopentyl)cyclohexyl]ethanamine
PubChem CID174474886
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-[1-(5-iminopentyl)cyclohexyl]ethanamine
SMILES[H]/N=C/CCCCC1(CCN)CCCCC1
InChIInChI=1S/C13H26N2/c14-11-6-2-5-9-13(10-12-15)7-3-1-4-8-13/h11,14H,1-10,12,15H2/b14-11+
InChIKeyAPUKQLZCNCPKSR-SDNWHVSQSA-N
XLogP3.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-aminoethyl)cyclobutyl]propan-1-amine
CID 140811736
2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
CID 175025312
2-[1-(2-iodoethyl)cyclohexyl]ethanamine
CID 90084213
hexane-1,6-diimine;hydrochloride
CID 175422205
1,1-dipentylcyclononane
CID 169026027
2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
CID 83818947
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
(1-pentylcyclopentyl)methanamine
CID 62725889
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
2-(2-iminoethyl)-1-(6-iminohexyl)cyclopropane-1-carboxylic acid
CID 157439689

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-iminopentyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[1-(5-iminopentyl)cyclohexyl]ethanamine (CID 174474886) is 2-[1-(5-iminopentyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-(5-iminopentyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[1-(5-iminopentyl)cyclohexyl]ethanamine is [H]/N=C/CCCCC1(CCN)CCCCC1.
What is the InChIKey of 2-[1-(5-iminopentyl)cyclohexyl]ethanamine?
The InChIKey is APUKQLZCNCPKSR-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H26N2/c14-11-6-2-5-9-13(10-12-15)7-3-1-4-8-13/h11,14H,1-10,12,15H2/b14-11+.
What are the key properties of 2-[1-(5-iminopentyl)cyclohexyl]ethanamine?
2-[1-(5-iminopentyl)cyclohexyl]ethanamine has a molecular weight of 210.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-iminopentyl)cyclohexyl]ethanamine is sourced from PubChem (CID 174474886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).