(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine

C30H45N3 — CID 143705723

IUPAC(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine
SMILESC#CCN(C)C(=CCC)/C(CC)=C(/N=C(\C)C#CC(/C=C\CCC)=C/CC)N(C=C)CCC
InChIInChI=1S/C30H45N3/c1-10-17-18-21-27(19-11-2)23-22-26(8)31-30(33(16-7)25-14-5)28(15-6)29(20-12-3)32(9)24-13-4/h4,16,18-21H,7,10-12,14-15,17,24-25H2,1-3,5-6,8-9H3/b21-18-,27-19+,29-20?,30-28-,31-26+
InChIKeyUZVJGXXPZBOMOF-SOZHFFKBSA-N
MW447.71 g/mol
LogP7.48
Rot. Bonds14

About (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine

(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine (PubChem CID 143705723) has the molecular formula C30H45N3 and a molecular weight of 447.71 g/mol. Its IUPAC name is (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine
PubChem CID143705723
Molecular FormulaC30H45N3
Molecular Weight447.71 g/mol
Exact Mass447.36
IUPAC Name(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine
SMILESC#CCN(C)C(=CCC)/C(CC)=C(/N=C(\C)C#CC(/C=C\CCC)=C/CC)N(C=C)CCC
InChIInChI=1S/C30H45N3/c1-10-17-18-21-27(19-11-2)23-22-26(8)31-30(33(16-7)25-14-5)28(15-6)29(20-12-3)32(9)24-13-4/h4,16,18-21H,7,10-12,14-15,17,24-25H2,1-3,5-6,8-9H3/b21-18-,27-19+,29-20?,30-28-,31-26+
InChIKeyUZVJGXXPZBOMOF-SOZHFFKBSA-N
XLogP7.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.71
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butyl-[5-[but-3-ynyl(ethylidene)azaniumyl]-6-prop-1-en-2-ylnona-1,5,7-trien-3-yn-2-yl]-pent-2-enylideneazanium
CID 91377458
Acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
CID 143345365
acetylene;ethane;(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine
CID 143705722
(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
CID 142919845

Frequently Asked Questions

What is the IUPAC name of (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine?
The IUPAC name of (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine (CID 143705723) is (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine.
What is the SMILES notation for (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine?
The canonical SMILES for (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine is C#CCN(C)C(=CCC)/C(CC)=C(/N=C(\C)C#CC(/C=C\CCC)=C/CC)N(C=C)CCC.
What is the InChIKey of (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine?
The InChIKey is UZVJGXXPZBOMOF-SOZHFFKBSA-N. The full InChI is InChI=1S/C30H45N3/c1-10-17-18-21-27(19-11-2)23-22-26(8)31-30(33(16-7)25-14-5)28(15-6)29(20-12-3)32(9)24-13-4/h4,16,18-21H,7,10-12,14-15,17,24-25H2,1-3,5-6,8-9H3/b21-18-,27-19+,29-20?,30-28-,31-26+.
What are the key properties of (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine?
(1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine has a molecular weight of 447.71 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-N-ethenyl-2-ethyl-3-N-methyl-1-N-propyl-1-[(E)-[(Z,5E)-5-propylidenedec-6-en-3-yn-2-ylidene]amino]-3-N-prop-2-ynylhexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 143705723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).