(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol

C15H29NO — CID 70041382

IUPAC(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
SMILESC=CC(CC)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H29NO/c1-3-12(4-2)11-15(17)14(16)10-13-8-6-5-7-9-13/h3,12-15,17H,1,4-11,16H2,2H3/t12?,14-,15-/m0/s1
InChIKeyVVCKGDUDSYBGGK-ZRNAQANOSA-N
MW239.40 g/mol
LogP3.25
Rot. Bonds7

About (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol

(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol (PubChem CID 70041382) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol.

Molecular Properties

Compound Name(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
PubChem CID70041382
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
SMILESC=CC(CC)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H29NO/c1-3-12(4-2)11-15(17)14(16)10-13-8-6-5-7-9-13/h3,12-15,17H,1,4-11,16H2,2H3/t12?,14-,15-/m0/s1
InChIKeyVVCKGDUDSYBGGK-ZRNAQANOSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
CID 57278444
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol
CID 58964082
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(2R)-1-cyclohexylbutan-2-ol
CID 59949714

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
The IUPAC name of (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol (CID 70041382) is (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol.
What is the SMILES notation for (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
The canonical SMILES for (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol is C=CC(CC)C[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
The InChIKey is VVCKGDUDSYBGGK-ZRNAQANOSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-12(4-2)11-15(17)14(16)10-13-8-6-5-7-9-13/h3,12-15,17H,1,4-11,16H2,2H3/t12?,14-,15-/m0/s1.
What are the key properties of (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol?
(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol has a molecular weight of 239.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol is sourced from PubChem (CID 70041382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).