(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine

C17H28N2 — CID 139504048

IUPAC(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine
SMILES[H]/N=C(C)/C=C\C(=C/C)\C(=C\CC)CN(C)C(=C)CC
InChIInChI=1S/C17H28N2/c1-7-10-17(13-19(6)15(5)8-2)16(9-3)12-11-14(4)18/h9-12,18H,5,7-8,13H2,1-4,6H3/b12-11-,16-9+,17-10+,18-14+
InChIKeyBNGROHJYGYPYAI-SLCKZLBZSA-N
MW260.42 g/mol
LogP4.72
Rot. Bonds8

About (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine

(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine (PubChem CID 139504048) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine.

Molecular Properties

Compound Name(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine
PubChem CID139504048
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine
SMILES[H]/N=C(C)/C=C\C(=C/C)\C(=C\CC)CN(C)C(=C)CC
InChIInChI=1S/C17H28N2/c1-7-10-17(13-19(6)15(5)8-2)16(9-3)12-11-14(4)18/h9-12,18H,5,7-8,13H2,1-4,6H3/b12-11-,16-9+,17-10+,18-14+
InChIKeyBNGROHJYGYPYAI-SLCKZLBZSA-N
XLogP4.72
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.72
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 (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine?
The IUPAC name of (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine (CID 139504048) is (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine.
What is the SMILES notation for (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine?
The canonical SMILES for (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine is [H]/N=C(C)/C=C\C(=C/C)\C(=C\CC)CN(C)C(=C)CC.
What is the InChIKey of (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine?
The InChIKey is BNGROHJYGYPYAI-SLCKZLBZSA-N. The full InChI is InChI=1S/C17H28N2/c1-7-10-17(13-19(6)15(5)8-2)16(9-3)12-11-14(4)18/h9-12,18H,5,7-8,13H2,1-4,6H3/b12-11-,16-9+,17-10+,18-14+.
What are the key properties of (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine?
(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine has a molecular weight of 260.42 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine is sourced from PubChem (CID 139504048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).