N-(1-cyclopentylethyl)-4-methoxybutan-1-amine

C12H25NO — CID 62633924

IUPACN-(1-cyclopentylethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)C1CCCC1
InChIInChI=1S/C12H25NO/c1-11(12-7-3-4-8-12)13-9-5-6-10-14-2/h11-13H,3-10H2,1-2H3
InChIKeyVJSDYOXKFGIJCV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

About N-(1-cyclopentylethyl)-4-methoxybutan-1-amine

N-(1-cyclopentylethyl)-4-methoxybutan-1-amine (PubChem CID 62633924) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-methoxybutan-1-amine
PubChem CID62633924
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-cyclopentylethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)C1CCCC1
InChIInChI=1S/C12H25NO/c1-11(12-7-3-4-8-12)13-9-5-6-10-14-2/h11-13H,3-10H2,1-2H3
InChIKeyVJSDYOXKFGIJCV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
CID 62632435
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-methoxybutan-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)-4-methoxybutan-1-amine (CID 62633924) is N-(1-cyclopentylethyl)-4-methoxybutan-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-methoxybutan-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-4-methoxybutan-1-amine is COCCCCNC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-4-methoxybutan-1-amine?
The InChIKey is VJSDYOXKFGIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(12-7-3-4-8-12)13-9-5-6-10-14-2/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(1-cyclopentylethyl)-4-methoxybutan-1-amine?
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 62633924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).