(Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine

C19H34N2 — CID 166651510

IUPAC(Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine
SMILESC=CCC(C)NCC(=C\C(C)(C)CCC)/C(C)=C/N=C/C
InChIInChI=1S/C19H34N2/c1-8-11-17(5)21-15-18(16(4)14-20-10-3)13-19(6,7)12-9-2/h8,10,13-14,17,21H,1,9,11-12,15H2,2-7H3/b16-14+,18-13+,20-10+
InChIKeyXCACNCUAFZOCNR-CBOAMSGLSA-N
MW290.50 g/mol
LogP5.29
Rot. Bonds10

About (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine

(Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine (PubChem CID 166651510) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine
PubChem CID166651510
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine
SMILESC=CCC(C)NCC(=C\C(C)(C)CCC)/C(C)=C/N=C/C
InChIInChI=1S/C19H34N2/c1-8-11-17(5)21-15-18(16(4)14-20-10-3)13-19(6,7)12-9-2/h8,10,13-14,17,21H,1,9,11-12,15H2,2-7H3/b16-14+,18-13+,20-10+
InChIKeyXCACNCUAFZOCNR-CBOAMSGLSA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine?
The IUPAC name of (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine (CID 166651510) is (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine?
The canonical SMILES for (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine is C=CCC(C)NCC(=C\C(C)(C)CCC)/C(C)=C/N=C/C.
What is the InChIKey of (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine?
The InChIKey is XCACNCUAFZOCNR-CBOAMSGLSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-11-17(5)21-15-18(16(4)14-20-10-3)13-19(6,7)12-9-2/h8,10,13-14,17,21H,1,9,11-12,15H2,2-7H3/b16-14+,18-13+,20-10+.
What are the key properties of (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine?
(Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine has a molecular weight of 290.50 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine is sourced from PubChem (CID 166651510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).