1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol

C13H25NO — CID 54515385

IUPAC1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol
SMILESC=CC(C)(CCC=C(C)C)NCC(C)O
InChIInChI=1S/C13H25NO/c1-6-13(5,14-10-12(4)15)9-7-8-11(2)3/h6,8,12,14-15H,1,7,9-10H2,2-5H3
InChIKeyYMBMRJLYZYZBEG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.65
Rot. Bonds7

About 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol

1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol (PubChem CID 54515385) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol
PubChem CID54515385
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol
SMILESC=CC(C)(CCC=C(C)C)NCC(C)O
InChIInChI=1S/C13H25NO/c1-6-13(5,14-10-12(4)15)9-7-8-11(2)3/h6,8,12,14-15H,1,7,9-10H2,2-5H3
InChIKeyYMBMRJLYZYZBEG-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.65
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

1-Fluoro-3-[(1-methylcyclopent-3-en-1-yl)amino]propan-2-ol
CID 165595000
1-Fluoro-3-[(1-methylcyclohex-3-en-1-yl)amino]propan-2-ol
CID 165596857
2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
CID 13492931
1-(Cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol
CID 15258902
(2R)-1-(3-methylhex-5-en-3-ylamino)propan-2-ol
CID 20677481
1-Cyclohexa-2,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 20758180
4-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-2-ol
CID 22761212
4-(3,7-Dimethylocta-2,6-dienylamino)butan-2-ol
CID 53734448
(2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol
CID 54029105
1-(3,7-Dimethylocta-2,6-dienylamino)propan-2-ol
CID 54322729
2-(3,7-Dimethylocta-2,6-dienylamino)-2-methylpropan-1-ol
CID 54323454
2-(3,7-Dimethyloct-6-enylamino)-2-methylpropan-1-ol
CID 54502459

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol?
The IUPAC name of 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol (CID 54515385) is 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol is C=CC(C)(CCC=C(C)C)NCC(C)O.
What is the InChIKey of 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol?
The InChIKey is YMBMRJLYZYZBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-13(5,14-10-12(4)15)9-7-8-11(2)3/h6,8,12,14-15H,1,7,9-10H2,2-5H3.
What are the key properties of 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol?
1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-1,6-dien-3-ylamino)propan-2-ol is sourced from PubChem (CID 54515385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).