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

C11H19N — CID 145244449

IUPAC(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(\C)[C@H](C)CC
InChIInChI=1S/C11H19N/c1-5-9(3)10(4)7-8-11(12)6-2/h6-9H,2,5,12H2,1,3-4H3/b10-7-,11-8+/t9-/m1/s1
InChIKeyXVBLKYYPTBYFBL-AXZHCJRMSA-N
MW165.28 g/mol
LogP3.01
Rot. Bonds4

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

(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine (PubChem CID 145244449) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
PubChem CID145244449
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(\C)[C@H](C)CC
InChIInChI=1S/C11H19N/c1-5-9(3)10(4)7-8-11(12)6-2/h6-9H,2,5,12H2,1,3-4H3/b10-7-,11-8+/t9-/m1/s1
InChIKeyXVBLKYYPTBYFBL-AXZHCJRMSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine (CID 145244449) is (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine is C=C/C(N)=C\C=C(\C)[C@H](C)CC.
What is the InChIKey of (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine?
The InChIKey is XVBLKYYPTBYFBL-AXZHCJRMSA-N. The full InChI is InChI=1S/C11H19N/c1-5-9(3)10(4)7-8-11(12)6-2/h6-9H,2,5,12H2,1,3-4H3/b10-7-,11-8+/t9-/m1/s1.
What are the key properties of (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine?
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine has a molecular weight of 165.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine is sourced from PubChem (CID 145244449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).