6-(1-cyclohexylethylamino)hexan-3-ol

C14H29NO — CID 115677307

IUPAC6-(1-cyclohexylethylamino)hexan-3-ol
SMILESCCC(O)CCCNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-3-14(16)10-7-11-15-12(2)13-8-5-4-6-9-13/h12-16H,3-11H2,1-2H3
InChIKeyJRGJKVKKPSYVBS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds7

About 6-(1-cyclohexylethylamino)hexan-3-ol

6-(1-cyclohexylethylamino)hexan-3-ol (PubChem CID 115677307) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 6-(1-cyclohexylethylamino)hexan-3-ol.

Molecular Properties

Compound Name6-(1-cyclohexylethylamino)hexan-3-ol
PubChem CID115677307
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name6-(1-cyclohexylethylamino)hexan-3-ol
SMILESCCC(O)CCCNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-3-14(16)10-7-11-15-12(2)13-8-5-4-6-9-13/h12-16H,3-11H2,1-2H3
InChIKeyJRGJKVKKPSYVBS-UHFFFAOYSA-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

N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
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-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylethylamino)hexan-3-ol?
The IUPAC name of 6-(1-cyclohexylethylamino)hexan-3-ol (CID 115677307) is 6-(1-cyclohexylethylamino)hexan-3-ol.
What is the SMILES notation for 6-(1-cyclohexylethylamino)hexan-3-ol?
The canonical SMILES for 6-(1-cyclohexylethylamino)hexan-3-ol is CCC(O)CCCNC(C)C1CCCCC1.
What is the InChIKey of 6-(1-cyclohexylethylamino)hexan-3-ol?
The InChIKey is JRGJKVKKPSYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-14(16)10-7-11-15-12(2)13-8-5-4-6-9-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 6-(1-cyclohexylethylamino)hexan-3-ol?
6-(1-cyclohexylethylamino)hexan-3-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 6-(1-cyclohexylethylamino)hexan-3-ol is sourced from PubChem (CID 115677307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).