3-amino-7-methyloct-6-en-1-ol

C9H19NO — CID 85356853

IUPAC3-amino-7-methyloct-6-en-1-ol
SMILESCC(C)=CCCC(N)CCO
InChIInChI=1S/C9H19NO/c1-8(2)4-3-5-9(10)6-7-11/h4,9,11H,3,5-7,10H2,1-2H3
InChIKeyJBDLOCHLOKMDKU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.44
Rot. Bonds5

About 3-amino-7-methyloct-6-en-1-ol

3-amino-7-methyloct-6-en-1-ol (PubChem CID 85356853) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-amino-7-methyloct-6-en-1-ol.

Molecular Properties

Compound Name3-amino-7-methyloct-6-en-1-ol
PubChem CID85356853
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-amino-7-methyloct-6-en-1-ol
SMILESCC(C)=CCCC(N)CCO
InChIInChI=1S/C9H19NO/c1-8(2)4-3-5-9(10)6-7-11/h4,9,11H,3,5-7,10H2,1-2H3
InChIKeyJBDLOCHLOKMDKU-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.44
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 3-amino-7-methyloct-6-en-1-ol?
The IUPAC name of 3-amino-7-methyloct-6-en-1-ol (CID 85356853) is 3-amino-7-methyloct-6-en-1-ol.
What is the SMILES notation for 3-amino-7-methyloct-6-en-1-ol?
The canonical SMILES for 3-amino-7-methyloct-6-en-1-ol is CC(C)=CCCC(N)CCO.
What is the InChIKey of 3-amino-7-methyloct-6-en-1-ol?
The InChIKey is JBDLOCHLOKMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)4-3-5-9(10)6-7-11/h4,9,11H,3,5-7,10H2,1-2H3.
What are the key properties of 3-amino-7-methyloct-6-en-1-ol?
3-amino-7-methyloct-6-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyloct-6-en-1-ol is sourced from PubChem (CID 85356853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).