(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine

C9H15N — CID 169247779

IUPAC(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
SMILESC=C(/C=C(\C)N)/C(C)=C\C
InChIInChI=1S/C9H15N/c1-5-7(2)8(3)6-9(4)10/h5-6H,3,10H2,1-2,4H3/b7-5-,9-6+
InChIKeyQKJOFDHQZNZSIY-XCZNYUDNSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds2

About (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine

(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine (PubChem CID 169247779) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine.

Molecular Properties

Compound Name(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
PubChem CID169247779
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
SMILESC=C(/C=C(\C)N)/C(C)=C\C
InChIInChI=1S/C9H15N/c1-5-7(2)8(3)6-9(4)10/h5-6H,3,10H2,1-2,4H3/b7-5-,9-6+
InChIKeyQKJOFDHQZNZSIY-XCZNYUDNSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
(2E)-4-methylideneocta-2,5,6-trien-2-amine
CID 176530983
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
CID 126639396
ethene;(2E,4E)-4-ethenylhexa-2,4-dien-2-amine
CID 142131627
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
2,3-dimethyl-1-silylpenta-1,3-dien-1-amine
CID 174949270
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine?
The IUPAC name of (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine (CID 169247779) is (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine.
What is the SMILES notation for (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine?
The canonical SMILES for (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine is C=C(/C=C(\C)N)/C(C)=C\C.
What is the InChIKey of (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine?
The InChIKey is QKJOFDHQZNZSIY-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7(2)8(3)6-9(4)10/h5-6H,3,10H2,1-2,4H3/b7-5-,9-6+.
What are the key properties of (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine?
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine is sourced from PubChem (CID 169247779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).