(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine

C11H17N — CID 144536498

IUPAC(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C=C/C(=C)C(C)C
InChIInChI=1S/C11H17N/c1-5-6-11(12)8-7-10(4)9(2)3/h5-9H,1,4,12H2,2-3H3/b8-7-,11-6+
InChIKeyARXPBVSILHNNAW-YKFSIMETSA-N
MW163.26 g/mol
LogP2.78
Rot. Bonds4

About (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine

(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine (PubChem CID 144536498) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
PubChem CID144536498
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C=C/C(=C)C(C)C
InChIInChI=1S/C11H17N/c1-5-6-11(12)8-7-10(4)9(2)3/h5-9H,1,4,12H2,2-3H3/b8-7-,11-6+
InChIKeyARXPBVSILHNNAW-YKFSIMETSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(2Z,4Z)-7-methyl-6-methylideneocta-2,4-dien-2-amine
CID 90277185
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
O-[(Z)-4-methyl-3-methylidenepent-1-enyl]hydroxylamine
CID 147805987
(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne
CID 145388588
(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
(5E)-5-[(E)-1-aminoprop-1-enyl]-2-methyl-3-methylideneocta-5,7-dien-4-one
CID 169195661
(2E)-1-phosphanylidenepenta-2,4-dien-2-amine
CID 135159127
2-methyl-3-propan-2-ylhexa-1,3,5-triene
CID 123577070
ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
CID 145476448
(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene
CID 143963935

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine (CID 144536498) is (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine is C=C/C=C(N)\C=C/C(=C)C(C)C.
What is the InChIKey of (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine?
The InChIKey is ARXPBVSILHNNAW-YKFSIMETSA-N. The full InChI is InChI=1S/C11H17N/c1-5-6-11(12)8-7-10(4)9(2)3/h5-9H,1,4,12H2,2-3H3/b8-7-,11-6+.
What are the key properties of (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine?
(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine has a molecular weight of 163.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine is sourced from PubChem (CID 144536498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).