(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine

C11H18N2 — CID 166698919

IUPAC(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
SMILESC/C=C(N)\C=C/C(C)=C/N=C/CC
InChIInChI=1S/C11H18N2/c1-4-8-13-9-10(3)6-7-11(12)5-2/h5-9H,4,12H2,1-3H3/b7-6-,10-9+,11-5+,13-8+
InChIKeyGIMSMMSNRPJFNQ-KAWHOTAUSA-N
MW178.28 g/mol
LogP2.79
Rot. Bonds4

About (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine

(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine (PubChem CID 166698919) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
PubChem CID166698919
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
SMILESC/C=C(N)\C=C/C(C)=C/N=C/CC
InChIInChI=1S/C11H18N2/c1-4-8-13-9-10(3)6-7-11(12)5-2/h5-9H,4,12H2,1-3H3/b7-6-,10-9+,11-5+,13-8+
InChIKeyGIMSMMSNRPJFNQ-KAWHOTAUSA-N
XLogP2.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.79
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

(Z)-1-(propylideneamino)prop-1-en-2-amine
CID 144543609
N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine
CID 90869246
ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
CID 142002928
N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
CID 145087914
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
(2E,4Z,6E)-7-(ethylideneamino)-6-methylhepta-2,4,6-triene-3-thiol
CID 167055907
(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
CID 134313131
(2E)-5-ethylhepta-2,4-dien-3-amine
CID 167246205
(Z)-N,3-dimethyl-1-(propylideneamino)but-1-en-2-amine
CID 169142407
N-[(E)-2-fluorohex-1-enyl]propan-1-imine
CID 137400300
(4Z,6E)-6-amino-3-methylideneocta-4,6-dien-2-one
CID 163875262
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine (CID 166698919) is (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine is C/C=C(N)\C=C/C(C)=C/N=C/CC.
What is the InChIKey of (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine?
The InChIKey is GIMSMMSNRPJFNQ-KAWHOTAUSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-8-13-9-10(3)6-7-11(12)5-2/h5-9H,4,12H2,1-3H3/b7-6-,10-9+,11-5+,13-8+.
What are the key properties of (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine?
(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 166698919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).