5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol

C14H29NO — CID 81393292

IUPAC5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
SMILESC[C@H](NCCCCCO)C1CCCCCC1
InChIInChI=1S/C14H29NO/c1-13(15-11-7-4-8-12-16)14-9-5-2-3-6-10-14/h13-16H,2-12H2,1H3/t13-/m0/s1
InChIKeyWACFAKNLBFYKFK-ZDUSSCGKSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds7

About 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol

5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol (PubChem CID 81393292) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
PubChem CID81393292
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
SMILESC[C@H](NCCCCCO)C1CCCCCC1
InChIInChI=1S/C14H29NO/c1-13(15-11-7-4-8-12-16)14-9-5-2-3-6-10-14/h13-16H,2-12H2,1H3/t13-/m0/s1
InChIKeyWACFAKNLBFYKFK-ZDUSSCGKSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
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

6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
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-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
CID 81387495
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol (CID 81393292) is 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol is C[C@H](NCCCCCO)C1CCCCCC1.
What is the InChIKey of 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol?
The InChIKey is WACFAKNLBFYKFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(15-11-7-4-8-12-16)14-9-5-2-3-6-10-14/h13-16H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol?
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol is sourced from PubChem (CID 81393292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).