(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine

C24H41N3 — CID 118617834

IUPAC(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/N=C(C(=C/C(=C\C)N(CCC)CCC)/C(=C)C)\N1CCC(C)CC1
InChIInChI=1S/C24H41N3/c1-9-14-26(15-10-2)22(11-3)18-23(19(4)5)24(25-20(6)7)27-16-12-21(8)13-17-27/h11,18,21H,4,6,9-10,12-17H2,1-3,5,7-8H3/b22-11+,23-18+,25-24-
InChIKeyLKZIAURWFNRLMZ-DROHGTBOSA-N
MW371.61 g/mol
LogP6.18
Rot. Bonds9

About (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine

(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine (PubChem CID 118617834) has the molecular formula C24H41N3 and a molecular weight of 371.61 g/mol. Its IUPAC name is (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
PubChem CID118617834
Molecular FormulaC24H41N3
Molecular Weight371.61 g/mol
Exact Mass371.33
IUPAC Name(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/N=C(C(=C/C(=C\C)N(CCC)CCC)/C(=C)C)\N1CCC(C)CC1
InChIInChI=1S/C24H41N3/c1-9-14-26(15-10-2)22(11-3)18-23(19(4)5)24(25-20(6)7)27-16-12-21(8)13-17-27/h11,18,21H,4,6,9-10,12-17H2,1-3,5,7-8H3/b22-11+,23-18+,25-24-
InChIKeyLKZIAURWFNRLMZ-DROHGTBOSA-N
XLogP6.18
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine (CID 118617834) is (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine is C=C(C)/N=C(C(=C/C(=C\C)N(CCC)CCC)/C(=C)C)\N1CCC(C)CC1.
What is the InChIKey of (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine?
The InChIKey is LKZIAURWFNRLMZ-DROHGTBOSA-N. The full InChI is InChI=1S/C24H41N3/c1-9-14-26(15-10-2)22(11-3)18-23(19(4)5)24(25-20(6)7)27-16-12-21(8)13-17-27/h11,18,21H,4,6,9-10,12-17H2,1-3,5,7-8H3/b22-11+,23-18+,25-24-.
What are the key properties of (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine?
(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine has a molecular weight of 371.61 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 118617834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).