(3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine

C25H40N2 — CID 130351791

IUPAC(3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(=C(/C(=C)C)C(=C)NCC(=C)C)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H40N2/c1-7-24(25(20(4)5)21(6)26-18-19(2)3)27(22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7,22-23,26H,1-2,4,6,8-18H2,3,5H3/b25-24+
InChIKeyFEIDKOJPPDUTGY-OCOZRVBESA-N
MW368.61 g/mol
LogP6.65
Rot. Bonds9

About (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine

(3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine (PubChem CID 130351791) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine.

Molecular Properties

Compound Name(3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine
PubChem CID130351791
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC Name(3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(=C(/C(=C)C)C(=C)NCC(=C)C)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H40N2/c1-7-24(25(20(4)5)21(6)26-18-19(2)3)27(22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7,22-23,26H,1-2,4,6,8-18H2,3,5H3/b25-24+
InChIKeyFEIDKOJPPDUTGY-OCOZRVBESA-N
XLogP6.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine?
The IUPAC name of (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine (CID 130351791) is (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine.
What is the SMILES notation for (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine?
The canonical SMILES for (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine is C=C/C(=C(/C(=C)C)C(=C)NCC(=C)C)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine?
The InChIKey is FEIDKOJPPDUTGY-OCOZRVBESA-N. The full InChI is InChI=1S/C25H40N2/c1-7-24(25(20(4)5)21(6)26-18-19(2)3)27(22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7,22-23,26H,1-2,4,6,8-18H2,3,5H3/b25-24+.
What are the key properties of (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine?
(3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine has a molecular weight of 368.61 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine is sourced from PubChem (CID 130351791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).