4-cyclopentyl-N-ethyl-3-methylbutan-1-amine

C12H25N — CID 81019020

IUPAC4-cyclopentyl-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)CC1CCCC1
InChIInChI=1S/C12H25N/c1-3-13-9-8-11(2)10-12-6-4-5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyKOXWVIWAISJHNB-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds6

About 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine

4-cyclopentyl-N-ethyl-3-methylbutan-1-amine (PubChem CID 81019020) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-ethyl-3-methylbutan-1-amine
PubChem CID81019020
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-cyclopentyl-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)CC1CCCC1
InChIInChI=1S/C12H25N/c1-3-13-9-8-11(2)10-12-6-4-5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyKOXWVIWAISJHNB-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-3-methyl-N-propylbutan-1-amine
CID 81019280
4-cyclopentyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 81019294
3-cyclopentyl-N-ethyl-2-methylpropan-1-amine
CID 62528074
3-(cyclohexylmethoxy)-N-ethylbutan-1-amine
CID 114999307
1-cyclopentyl-3-(ethylamino)propan-1-ol
CID 167001282
azane;2-methylbutylcyclohexane
CID 143986613
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877
2-methylhex-5-enylcyclohexane
CID 142828676
4-(cyclohexylmethoxy)-N-ethylpentan-1-amine
CID 62485288
4-(ethylamino)-2-methylbutan-1-ol
CID 55288287

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine (CID 81019020) is 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine is CCNCCC(C)CC1CCCC1.
What is the InChIKey of 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine?
The InChIKey is KOXWVIWAISJHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-13-9-8-11(2)10-12-6-4-5-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine?
4-cyclopentyl-N-ethyl-3-methylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 81019020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).