(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine

C9H16N2 — CID 176949454

IUPAC(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine
SMILES[H]/N=C(/C=C(\N)C(C)C)C(=C)C
InChIInChI=1S/C9H16N2/c1-6(2)8(10)5-9(11)7(3)4/h5,7,10H,1,11H2,2-4H3/b9-5-,10-8-
InChIKeyPWUPPUFDAVZYEI-UDRCNDPASA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds3

About (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine

(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine (PubChem CID 176949454) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine.

Molecular Properties

Compound Name(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine
PubChem CID176949454
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine
SMILES[H]/N=C(/C=C(\N)C(C)C)C(=C)C
InChIInChI=1S/C9H16N2/c1-6(2)8(10)5-9(11)7(3)4/h5,7,10H,1,11H2,2-4H3/b9-5-,10-8-
InChIKeyPWUPPUFDAVZYEI-UDRCNDPASA-N
XLogP2.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
2,4-dimethylpent-1-en-3-imine
CID 91148130
(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
CID 145062560
2,4-dimethylpent-1-en-3-imine;ethane
CID 156721750
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 145093627
(Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide
CID 176544363
4-methylpent-2-en-3-amine
CID 72590374
2-methylpropanimidamide;hydrochloride
CID 2782053
(5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine
CID 174036176
2-methylpropane;prop-1-en-2-amine
CID 174893746
(E)-3-ethanimidoyl-4-methylpent-2-en-2-amine
CID 146526722

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine?
The IUPAC name of (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine (CID 176949454) is (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine.
What is the SMILES notation for (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine?
The canonical SMILES for (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine is [H]/N=C(/C=C(\N)C(C)C)C(=C)C.
What is the InChIKey of (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine?
The InChIKey is PWUPPUFDAVZYEI-UDRCNDPASA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)8(10)5-9(11)7(3)4/h5,7,10H,1,11H2,2-4H3/b9-5-,10-8-.
What are the key properties of (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine?
(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine is sourced from PubChem (CID 176949454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).