(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine

C12H20N2 — CID 123559099

IUPAC(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(=C\C(C)=CC)CN=C(C)C
InChIInChI=1S/C12H20N2/c1-6-10(4)7-12(11(5)13)8-14-9(2)3/h6-7,13H,8H2,1-5H3/b10-6?,12-7-,13-11+
InChIKeySAUAWWOHSYCVAO-HUIGBDERSA-N
MW192.31 g/mol
LogP3.40
Rot. Bonds4

About (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine

(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine (PubChem CID 123559099) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine
PubChem CID123559099
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(=C\C(C)=CC)CN=C(C)C
InChIInChI=1S/C12H20N2/c1-6-10(4)7-12(11(5)13)8-14-9(2)3/h6-7,13H,8H2,1-5H3/b10-6?,12-7-,13-11+
InChIKeySAUAWWOHSYCVAO-HUIGBDERSA-N
XLogP3.40
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine 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

(4E,6E)-8-N-butyl-7-(trifluoromethyl)deca-4,6,9-triene-2,8-diimine
CID 123558880
2-[(E,3E)-3-ethylidene-4-methylhex-4-en-2-yl]imino-3-fluorobutan-1-amine
CID 126687205
(3E,6E)-6-ethyl-4-fluoro-2,5-dimethylidene-8-methyliminonona-3,6-dien-1-amine
CID 144306564
(4-methyl-2H-pyrrol-5-yl)methanamine
CID 57746114
4,6-dimethyl-3-methylidene-2H-pyridine
CID 58181134
(3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine
CID 89321972
(NE)-N-[(3Z)-3-(aminomethyl)-6-methylhepta-3,5-dien-2-ylidene]hydroxylamine
CID 90047970
2-[2-[7-(aminomethyl)-3-methyl-2H-azepin-4-yl]ethenyl]hex-2-en-1-amine
CID 91290535
(5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine
CID 91450688
N-(2-prop-1-en-2-ylbut-2-enyl)but-3-en-2-imine
CID 91562140
(7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine
CID 123519696
(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine
CID 123656422

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine (CID 123559099) is (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine is [H]/N=C(C)/C(=C\C(C)=CC)CN=C(C)C.
What is the InChIKey of (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine?
The InChIKey is SAUAWWOHSYCVAO-HUIGBDERSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-10(4)7-12(11(5)13)8-14-9(2)3/h6-7,13H,8H2,1-5H3/b10-6?,12-7-,13-11+.
What are the key properties of (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine?
(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine has a molecular weight of 192.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 123559099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).