2-(4-methylhepta-1,6-dien-4-ylamino)ethanol

C10H19NO — CID 87438838

IUPAC2-(4-methylhepta-1,6-dien-4-ylamino)ethanol
SMILESC=CCC(C)(CC=C)NCCO
InChIInChI=1S/C10H19NO/c1-4-6-10(3,7-5-2)11-8-9-12/h4-5,11-12H,1-2,6-9H2,3H3
InChIKeyVMGZIIBCOCXSER-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.48
Rot. Bonds7

About 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol

2-(4-methylhepta-1,6-dien-4-ylamino)ethanol (PubChem CID 87438838) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol.

Molecular Properties

Compound Name2-(4-methylhepta-1,6-dien-4-ylamino)ethanol
PubChem CID87438838
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(4-methylhepta-1,6-dien-4-ylamino)ethanol
SMILESC=CCC(C)(CC=C)NCCO
InChIInChI=1S/C10H19NO/c1-4-6-10(3,7-5-2)11-8-9-12/h4-5,11-12H,1-2,6-9H2,3H3
InChIKeyVMGZIIBCOCXSER-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.48
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-(4-methylhepta-1,6-dien-4-ylamino)ethanol?
The IUPAC name of 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol (CID 87438838) is 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol.
What is the SMILES notation for 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol?
The canonical SMILES for 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol is C=CCC(C)(CC=C)NCCO.
What is the InChIKey of 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol?
The InChIKey is VMGZIIBCOCXSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-10(3,7-5-2)11-8-9-12/h4-5,11-12H,1-2,6-9H2,3H3.
What are the key properties of 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol?
2-(4-methylhepta-1,6-dien-4-ylamino)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylhepta-1,6-dien-4-ylamino)ethanol is sourced from PubChem (CID 87438838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).