4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol

C18H35NO — CID 91205271

IUPAC4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol
SMILESCCC(C)C(NCC(C)CC1CC=CCC1)C(O)CC
InChIInChI=1S/C18H35NO/c1-5-15(4)18(17(20)6-2)19-13-14(3)12-16-10-8-7-9-11-16/h7-8,14-20H,5-6,9-13H2,1-4H3
InChIKeyHKHRYOQBELXPQR-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.14
Rot. Bonds9

About 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol

4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol (PubChem CID 91205271) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol.

Molecular Properties

Compound Name4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol
PubChem CID91205271
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol
SMILESCCC(C)C(NCC(C)CC1CC=CCC1)C(O)CC
InChIInChI=1S/C18H35NO/c1-5-15(4)18(17(20)6-2)19-13-14(3)12-16-10-8-7-9-11-16/h7-8,14-20H,5-6,9-13H2,1-4H3
InChIKeyHKHRYOQBELXPQR-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol with MolForge

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Related Compounds

(-)-Pseudoephedrinhydrochlorid
CID 129629514
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
(s)-N-(10-undecenyl)leucinol
CID 129847194
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
m-Hydroxypseudoephedrine
CID 129705379
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
1-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-2-ol
CID 20649851
1-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
CID 20649856
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol?
The IUPAC name of 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol (CID 91205271) is 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol.
What is the SMILES notation for 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol?
The canonical SMILES for 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol is CCC(C)C(NCC(C)CC1CC=CCC1)C(O)CC.
What is the InChIKey of 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol?
The InChIKey is HKHRYOQBELXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-15(4)18(17(20)6-2)19-13-14(3)12-16-10-8-7-9-11-16/h7-8,14-20H,5-6,9-13H2,1-4H3.
What are the key properties of 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol?
4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol has a molecular weight of 281.48 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol is sourced from PubChem (CID 91205271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).