(3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine

C11H17N — CID 143482880

IUPAC(3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine
SMILESCC1=C/C=C(\C)CC(N)C\C=C\1
InChIInChI=1S/C11H17N/c1-9-4-3-5-11(12)8-10(2)7-6-9/h3-4,6-7,11H,5,8,12H2,1-2H3/b4-3+,9-6-,10-7+
InChIKeyJYUJMNJYVKEDGP-MOENOOKKSA-N
MW163.26 g/mol
LogP2.56
Rot. Bonds

About (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine

(3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine (PubChem CID 143482880) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine
PubChem CID143482880
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine
SMILESCC1=C/C=C(\C)CC(N)C\C=C\1
InChIInChI=1S/C11H17N/c1-9-4-3-5-11(12)8-10(2)7-6-9/h3-4,6-7,11H,5,8,12H2,1-2H3/b4-3+,9-6-,10-7+
InChIKeyJYUJMNJYVKEDGP-MOENOOKKSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine?
The IUPAC name of (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine (CID 143482880) is (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine.
What is the SMILES notation for (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine?
The canonical SMILES for (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine is CC1=C/C=C(\C)CC(N)C\C=C\1.
What is the InChIKey of (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine?
The InChIKey is JYUJMNJYVKEDGP-MOENOOKKSA-N. The full InChI is InChI=1S/C11H17N/c1-9-4-3-5-11(12)8-10(2)7-6-9/h3-4,6-7,11H,5,8,12H2,1-2H3/b4-3+,9-6-,10-7+.
What are the key properties of (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine?
(3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine is sourced from PubChem (CID 143482880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).