6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol

C13H27NO — CID 107703530

IUPAC6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
SMILESC[C@H](NCCCCCCO)C1CCCC1
InChIInChI=1S/C13H27NO/c1-12(13-8-4-5-9-13)14-10-6-2-3-7-11-15/h12-15H,2-11H2,1H3/t12-/m0/s1
InChIKeyFVVDERDUVOXSLV-LBPRGKRZSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds8

About 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol

6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol (PubChem CID 107703530) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
PubChem CID107703530
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
SMILESC[C@H](NCCCCCCO)C1CCCC1
InChIInChI=1S/C13H27NO/c1-12(13-8-4-5-9-13)14-10-6-2-3-7-11-15/h12-15H,2-11H2,1H3/t12-/m0/s1
InChIKeyFVVDERDUVOXSLV-LBPRGKRZSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
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

5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol?
The IUPAC name of 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol (CID 107703530) is 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol is C[C@H](NCCCCCCO)C1CCCC1.
What is the InChIKey of 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol?
The InChIKey is FVVDERDUVOXSLV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(13-8-4-5-9-13)14-10-6-2-3-7-11-15/h12-15H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol?
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol is sourced from PubChem (CID 107703530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).