1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine

C17H30N2 — CID 135269084

IUPAC1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine
SMILESC=C(C)NC(=C)NC(C)CC(/C=C\C)=C(\C)CCC
InChIInChI=1S/C17H30N2/c1-8-10-14(5)17(11-9-2)12-15(6)19-16(7)18-13(3)4/h9,11,15,18-19H,3,7-8,10,12H2,1-2,4-6H3/b11-9-,17-14+
InChIKeyGTDMPMWYAJPCAU-QWAPPMFBSA-N
MW262.44 g/mol
LogP4.64
Rot. Bonds9

About 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine

1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine (PubChem CID 135269084) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine
PubChem CID135269084
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine
SMILESC=C(C)NC(=C)NC(C)CC(/C=C\C)=C(\C)CCC
InChIInChI=1S/C17H30N2/c1-8-10-14(5)17(11-9-2)12-15(6)19-16(7)18-13(3)4/h9,11,15,18-19H,3,7-8,10,12H2,1-2,4-6H3/b11-9-,17-14+
InChIKeyGTDMPMWYAJPCAU-QWAPPMFBSA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine?
The IUPAC name of 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine (CID 135269084) is 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine is C=C(C)NC(=C)NC(C)CC(/C=C\C)=C(\C)CCC.
What is the InChIKey of 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine?
The InChIKey is GTDMPMWYAJPCAU-QWAPPMFBSA-N. The full InChI is InChI=1S/C17H30N2/c1-8-10-14(5)17(11-9-2)12-15(6)19-16(7)18-13(3)4/h9,11,15,18-19H,3,7-8,10,12H2,1-2,4-6H3/b11-9-,17-14+.
What are the key properties of 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine?
1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine is sourced from PubChem (CID 135269084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).