1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol

C13H27NO — CID 104582544

IUPAC1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol
SMILESC=CCCC(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-11(2)14-10-12(15)9-13(3,4)5/h6,11-12,14-15H,1,7-10H2,2-5H3
InChIKeyNQUHHAZFKUPZOY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.73
Rot. Bonds7

About 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol

1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol (PubChem CID 104582544) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol
PubChem CID104582544
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol
SMILESC=CCCC(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-11(2)14-10-12(15)9-13(3,4)5/h6,11-12,14-15H,1,7-10H2,2-5H3
InChIKeyNQUHHAZFKUPZOY-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.73
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

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
3-Ethylamino-5-hexene-2-ol
CID 566897
2-(But-3-enylamino)-3,3-dimethylbutan-1-ol
CID 57591314
2-(Pentylamino)pent-4-en-1-ol
CID 89762075
2-(Methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 90881137
1-[(1-Hydroxy-3-methylbutan-2-yl)amino]-2-methylhept-5-en-3-ol
CID 91382475
2-(2,2-Dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol
CID 141116192
Ethane;2-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]methyl]-4-methylhexa-1,5-dien-3-ol
CID 144039660
(E,2S,3R,4R)-4-methyl-2-(methylamino)oct-6-en-3-ol
CID 150111036
(E)-4-methyl-2-(methylamino)oct-6-en-3-ol
CID 155352133

Frequently Asked Questions

What is the IUPAC name of 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol (CID 104582544) is 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol is C=CCCC(C)NCC(O)CC(C)(C)C.
What is the InChIKey of 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is NQUHHAZFKUPZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-11(2)14-10-12(15)9-13(3,4)5/h6,11-12,14-15H,1,7-10H2,2-5H3.
What are the key properties of 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol?
1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 104582544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).