10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol

C16H29NO — CID 140978684

IUPAC10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol
SMILESC=CCCNCCCC(C)=CCCC(C)=CCO
InChIInChI=1S/C16H29NO/c1-4-5-12-17-13-7-10-15(2)8-6-9-16(3)11-14-18/h4,8,11,17-18H,1,5-7,9-10,12-14H2,2-3H3
InChIKeyDLBYLWWRYDDSJB-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.60
Rot. Bonds11

About 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol

10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol (PubChem CID 140978684) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol.

Molecular Properties

Compound Name10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol
PubChem CID140978684
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol
SMILESC=CCCNCCCC(C)=CCCC(C)=CCO
InChIInChI=1S/C16H29NO/c1-4-5-12-17-13-7-10-15(2)8-6-9-16(3)11-14-18/h4,8,11,17-18H,1,5-7,9-10,12-14H2,2-3H3
InChIKeyDLBYLWWRYDDSJB-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol?
The IUPAC name of 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol (CID 140978684) is 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol.
What is the SMILES notation for 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol?
The canonical SMILES for 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol is C=CCCNCCCC(C)=CCCC(C)=CCO.
What is the InChIKey of 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol?
The InChIKey is DLBYLWWRYDDSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-5-12-17-13-7-10-15(2)8-6-9-16(3)11-14-18/h4,8,11,17-18H,1,5-7,9-10,12-14H2,2-3H3.
What are the key properties of 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol?
10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.60, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(but-3-enylamino)-3,7-dimethyldeca-2,6-dien-1-ol is sourced from PubChem (CID 140978684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).