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

C13H27NO — CID 104583089

IUPAC5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCC(C)NCC(C)(C)CCCO
InChIInChI=1S/C13H27NO/c1-5-6-8-12(2)14-11-13(3,4)9-7-10-15/h5,12,14-15H,1,6-11H2,2-4H3
InChIKeyAQIAFRQTXJGPLS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.73
Rot. Bonds9

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

5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 104583089) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID104583089
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCC(C)NCC(C)(C)CCCO
InChIInChI=1S/C13H27NO/c1-5-6-8-12(2)14-11-13(3,4)9-7-10-15/h5,12,14-15H,1,6-11H2,2-4H3
InChIKeyAQIAFRQTXJGPLS-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
5-(Pent-4-enylamino)pentan-1-ol
CID 107317245
6-(Pent-4-en-2-ylamino)hexan-2-ol
CID 134439295
(2S)-4-[[(5-amino-3,3,5-trimethylhex-1-en-2-yl)amino]methyl]-2-methylhex-5-en-1-ol
CID 146359257
5-(Hex-5-enylamino)pentan-1-ol
CID 153618117
5-(Hex-5-enylamino)hexan-1-ol
CID 175145813
Ethane;2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
CID 177180640
2-(But-3-enylamino)-4-methylpentan-1-ol
CID 64313735
4-Methyl-2-(pent-4-enylamino)pentan-1-ol
CID 64313736
[2-(Hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol
CID 86790074
[(1R,2R)-2-[[(2S)-hex-5-en-2-yl]amino]-1-methylcyclopentyl]methanol
CID 97879835
[(1R,2R)-2-[[(2R)-hex-5-en-2-yl]amino]-1-methylcyclopentyl]methanol
CID 97879836

Frequently Asked Questions

What is the IUPAC name of 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol (CID 104583089) is 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol is C=CCCC(C)NCC(C)(C)CCCO.
What is the InChIKey of 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is AQIAFRQTXJGPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-6-8-12(2)14-11-13(3,4)9-7-10-15/h5,12,14-15H,1,6-11H2,2-4H3.
What are the key properties of 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104583089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).