3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol

C14H29NO — CID 123448730

IUPAC3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol
SMILESCC(=CC(C)C)CC(C)C(C)(O)NC(C)C
InChIInChI=1S/C14H29NO/c1-10(2)8-12(5)9-13(6)14(7,16)15-11(3)4/h8,10-11,13,15-16H,9H2,1-7H3
InChIKeyILHYAJCSSWOOAP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.32
Rot. Bonds6

About 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol

3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol (PubChem CID 123448730) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol.

Molecular Properties

Compound Name3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol
PubChem CID123448730
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol
SMILESCC(=CC(C)C)CC(C)C(C)(O)NC(C)C
InChIInChI=1S/C14H29NO/c1-10(2)8-12(5)9-13(6)14(7,16)15-11(3)4/h8,10-11,13,15-16H,9H2,1-7H3
InChIKeyILHYAJCSSWOOAP-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
4-[(Butan-2-ylamino)methyl]hept-1-en-2-ol
CID 156325451
(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol
CID 166998489
(2S)-2-[[(3Z,6R,7Z,9S)-9-ethyl-6,8,10-trimethylundeca-3,7-dien-2-yl]amino]hex-5-en-2-ol
CID 174319710
1-[2-(6-Methylhept-5-en-2-ylamino)ethyl]cyclopentan-1-ol
CID 56859408
3-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65337526
4-{[(Cyclohex-3-en-1-yl)methyl]amino}pentan-1-ol
CID 75356556
4-[(2,6-Dimethylcyclohex-2-en-1-yl)methylamino]pentan-1-ol
CID 86799433
(4S)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051707
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
(4S)-4-[[(1S)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051709
(4R)-4-[[(1S)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051710

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol?
The IUPAC name of 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol (CID 123448730) is 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol.
What is the SMILES notation for 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol?
The canonical SMILES for 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol is CC(=CC(C)C)CC(C)C(C)(O)NC(C)C.
What is the InChIKey of 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol?
The InChIKey is ILHYAJCSSWOOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)8-12(5)9-13(6)14(7,16)15-11(3)4/h8,10-11,13,15-16H,9H2,1-7H3.
What are the key properties of 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol?
3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol is sourced from PubChem (CID 123448730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).