1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine

C14H29NO — CID 104648397

IUPAC1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
SMILESCCNC(CCCCCOC)C1CCCC1
InChIInChI=1S/C14H29NO/c1-3-15-14(13-9-6-7-10-13)11-5-4-8-12-16-2/h13-15H,3-12H2,1-2H3
InChIKeyWTIFCFVESBTMNL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds9

About 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine

1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine (PubChem CID 104648397) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
PubChem CID104648397
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
SMILESCCNC(CCCCCOC)C1CCCC1
InChIInChI=1S/C14H29NO/c1-3-15-14(13-9-6-7-10-13)11-5-4-8-12-16-2/h13-15H,3-12H2,1-2H3
InChIKeyWTIFCFVESBTMNL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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

1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
CID 114855905
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cyclopentyl-N-ethyl-5-methoxy-5-methylhexan-1-amine
CID 103034619
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 113448229
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 104745409

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine (CID 104648397) is 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine is CCNC(CCCCCOC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine?
The InChIKey is WTIFCFVESBTMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-15-14(13-9-6-7-10-13)11-5-4-8-12-16-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine?
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine is sourced from PubChem (CID 104648397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).