(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine

C22H32N2 — CID 134525287

IUPAC(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
SMILESC=C/C=C(\C=C/C(N)=C\C)C(/C)=N/CC1=C/C(=C/C(C)C)CCC1
InChIInChI=1S/C22H32N2/c1-6-9-21(12-13-22(23)7-2)18(5)24-16-20-11-8-10-19(15-20)14-17(3)4/h6-7,9,12-15,17H,1,8,10-11,16,23H2,2-5H3/b13-12-,19-14+,21-9+,22-7+,24-18+
InChIKeyVKEWFCYTQXIQIT-DKAPSBHLSA-N
MW324.51 g/mol
LogP5.67
Rot. Bonds7

About (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine

(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine (PubChem CID 134525287) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
PubChem CID134525287
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
SMILESC=C/C=C(\C=C/C(N)=C\C)C(/C)=N/CC1=C/C(=C/C(C)C)CCC1
InChIInChI=1S/C22H32N2/c1-6-9-21(12-13-22(23)7-2)18(5)24-16-20-11-8-10-19(15-20)14-17(3)4/h6-7,9,12-15,17H,1,8,10-11,16,23H2,2-5H3/b13-12-,19-14+,21-9+,22-7+,24-18+
InChIKeyVKEWFCYTQXIQIT-DKAPSBHLSA-N
XLogP5.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.67
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine?
The IUPAC name of (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine (CID 134525287) is (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine.
What is the SMILES notation for (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine?
The canonical SMILES for (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine is C=C/C=C(\C=C/C(N)=C\C)C(/C)=N/CC1=C/C(=C/C(C)C)CCC1.
What is the InChIKey of (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine?
The InChIKey is VKEWFCYTQXIQIT-DKAPSBHLSA-N. The full InChI is InChI=1S/C22H32N2/c1-6-9-21(12-13-22(23)7-2)18(5)24-16-20-11-8-10-19(15-20)14-17(3)4/h6-7,9,12-15,17H,1,8,10-11,16,23H2,2-5H3/b13-12-,19-14+,21-9+,22-7+,24-18+.
What are the key properties of (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine?
(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine has a molecular weight of 324.51 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine is sourced from PubChem (CID 134525287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).