2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol

C14H29NO — CID 54502459

IUPAC2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol
SMILESCC(C)=CCCC(C)CCNC(C)(C)CO
InChIInChI=1S/C14H29NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,13,15-16H,6,8-11H2,1-5H3
InChIKeyYDJWOMXCIKIONA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.12
Rot. Bonds8

About 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol

2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol (PubChem CID 54502459) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol
PubChem CID54502459
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol
SMILESCC(C)=CCCC(C)CCNC(C)(C)CO
InChIInChI=1S/C14H29NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,13,15-16H,6,8-11H2,1-5H3
InChIKeyYDJWOMXCIKIONA-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol (CID 54502459) is 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol is CC(C)=CCCC(C)CCNC(C)(C)CO.
What is the InChIKey of 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol?
The InChIKey is YDJWOMXCIKIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,13,15-16H,6,8-11H2,1-5H3.
What are the key properties of 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol?
2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-6-enylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 54502459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).