(3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine

C11H17N — CID 88542974

IUPAC(3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine
SMILESC=C(C)/C(N)=C(C)/C=C\C=C/C
InChIInChI=1S/C11H17N/c1-5-6-7-8-10(4)11(12)9(2)3/h5-8H,2,12H2,1,3-4H3/b6-5-,8-7-,11-10-
InChIKeyRKHPJOMHCOWXPP-KPKAYWSYSA-N
MW163.26 g/mol
LogP2.93
Rot. Bonds3

About (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine

(3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine (PubChem CID 88542974) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine
PubChem CID88542974
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine
SMILESC=C(C)/C(N)=C(C)/C=C\C=C/C
InChIInChI=1S/C11H17N/c1-5-6-7-8-10(4)11(12)9(2)3/h5-8H,2,12H2,1,3-4H3/b6-5-,8-7-,11-10-
InChIKeyRKHPJOMHCOWXPP-KPKAYWSYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.93
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 (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine (CID 88542974) is (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine is C=C(C)/C(N)=C(C)/C=C\C=C/C.
What is the InChIKey of (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine?
The InChIKey is RKHPJOMHCOWXPP-KPKAYWSYSA-N. The full InChI is InChI=1S/C11H17N/c1-5-6-7-8-10(4)11(12)9(2)3/h5-8H,2,12H2,1,3-4H3/b6-5-,8-7-,11-10-.
What are the key properties of (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine?
(3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine has a molecular weight of 163.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-2,4-dimethylnona-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 88542974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).