(2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine

C24H38N4 — CID 176531143

IUPAC(2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine
SMILES[H]/N=C/C(=C(/C)N)/C(C)=C/C(/N=C(\C)C1CCC(C(C)N)CC1)=C(\C)C(C)=C=C
InChIInChI=1S/C24H38N4/c1-8-15(2)17(4)24(13-16(3)23(14-25)19(6)27)28-20(7)22-11-9-21(10-12-22)18(5)26/h13-14,18,21-22,25H,1,9-12,26-27H2,2-7H3/b16-13+,23-19+,24-17-,25-14+,28-20+
InChIKeyONESYAFONKHTQD-TYLKVDDRSA-N
MW382.60 g/mol
LogP5.43
Rot. Bonds7

About (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine

(2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine (PubChem CID 176531143) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine.

Molecular Properties

Compound Name(2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine
PubChem CID176531143
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC Name(2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine
SMILES[H]/N=C/C(=C(/C)N)/C(C)=C/C(/N=C(\C)C1CCC(C(C)N)CC1)=C(\C)C(C)=C=C
InChIInChI=1S/C24H38N4/c1-8-15(2)17(4)24(13-16(3)23(14-25)19(6)27)28-20(7)22-11-9-21(10-12-22)18(5)26/h13-14,18,21-22,25H,1,9-12,26-27H2,2-7H3/b16-13+,23-19+,24-17-,25-14+,28-20+
InChIKeyONESYAFONKHTQD-TYLKVDDRSA-N
XLogP5.43
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine?
The IUPAC name of (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine (CID 176531143) is (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine.
What is the SMILES notation for (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine?
The canonical SMILES for (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine is [H]/N=C/C(=C(/C)N)/C(C)=C/C(/N=C(\C)C1CCC(C(C)N)CC1)=C(\C)C(C)=C=C.
What is the InChIKey of (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine?
The InChIKey is ONESYAFONKHTQD-TYLKVDDRSA-N. The full InChI is InChI=1S/C24H38N4/c1-8-15(2)17(4)24(13-16(3)23(14-25)19(6)27)28-20(7)22-11-9-21(10-12-22)18(5)26/h13-14,18,21-22,25H,1,9-12,26-27H2,2-7H3/b16-13+,23-19+,24-17-,25-14+,28-20+.
What are the key properties of (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine?
(2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine has a molecular weight of 382.60 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine is sourced from PubChem (CID 176531143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).