(1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine

C10H13N — CID 163668207

IUPAC(1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine
SMILESC/C1=C/C=C\C=C(\N)C=CC1
InChIInChI=1S/C10H13N/c1-9-5-2-3-7-10(11)8-4-6-9/h2-5,7-8H,6,11H2,1H3/b3-2-,8-4?,9-5-,10-7+
InChIKeyJAGQRIPNJOVMPB-LCWRYTMRSA-N
MW147.22 g/mol
LogP2.29
Rot. Bonds

About (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine

(1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine (PubChem CID 163668207) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine
PubChem CID163668207
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine
SMILESC/C1=C/C=C\C=C(\N)C=CC1
InChIInChI=1S/C10H13N/c1-9-5-2-3-7-10(11)8-4-6-9/h2-5,7-8H,6,11H2,1H3/b3-2-,8-4?,9-5-,10-7+
InChIKeyJAGQRIPNJOVMPB-LCWRYTMRSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine?
The IUPAC name of (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine (CID 163668207) is (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine?
The canonical SMILES for (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine is C/C1=C/C=C\C=C(\N)C=CC1.
What is the InChIKey of (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine?
The InChIKey is JAGQRIPNJOVMPB-LCWRYTMRSA-N. The full InChI is InChI=1S/C10H13N/c1-9-5-2-3-7-10(11)8-4-6-9/h2-5,7-8H,6,11H2,1H3/b3-2-,8-4?,9-5-,10-7+.
What are the key properties of (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine?
(1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine has a molecular weight of 147.22 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine is sourced from PubChem (CID 163668207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).