(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine

C12H18N2 — CID 156736104

IUPAC(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(C(=C)C)=C(C)\C=N\C
InChIInChI=1S/C12H18N2/c1-6-7-11(13)12(9(2)3)10(4)8-14-5/h6-8H,1-2,13H2,3-5H3/b11-7+,12-10+,14-8+
InChIKeyOTATUNHQUWQDGL-BONBLCMCSA-N
MW190.29 g/mol
LogP2.61
Rot. Bonds4

About (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine

(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine (PubChem CID 156736104) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
PubChem CID156736104
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(C(=C)C)=C(C)\C=N\C
InChIInChI=1S/C12H18N2/c1-6-7-11(13)12(9(2)3)10(4)8-14-5/h6-8H,1-2,13H2,3-5H3/b11-7+,12-10+,14-8+
InChIKeyOTATUNHQUWQDGL-BONBLCMCSA-N
XLogP2.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.61
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'}

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Related Compounds

(2E,4Z)-4-chloro-5-fluoro-N,2-dimethyl-3-prop-1-en-2-ylhepta-2,4,6-trien-1-imine;ethane
CID 176951443
(E)-3-methyl-4-methyliminobut-2-en-2-amine
CID 167081339
(2E)-2-(methyliminomethyl)penta-2,4-dienamide
CID 143715674
N,2,3-trimethylbut-2-en-1-imine
CID 123452663
(3E)-2-chlorohexa-1,3,5-trien-3-amine
CID 156824437
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
CID 143290787
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
CID 143612391

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine (CID 156736104) is (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine is C=C/C=C(N)\C(C(=C)C)=C(C)\C=N\C.
What is the InChIKey of (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine?
The InChIKey is OTATUNHQUWQDGL-BONBLCMCSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-7-11(13)12(9(2)3)10(4)8-14-5/h6-8H,1-2,13H2,3-5H3/b11-7+,12-10+,14-8+.
What are the key properties of (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine?
(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine has a molecular weight of 190.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 156736104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).