(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine

C14H27N3 — CID 88976883

IUPAC(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine
SMILESC/C=C(/C)N(CC)[C@@H](N)/C(=C/C=C\CC)CN
InChIInChI=1S/C14H27N3/c1-5-8-9-10-13(11-15)14(16)17(7-3)12(4)6-2/h6,8-10,14H,5,7,11,15-16H2,1-4H3/b9-8-,12-6-,13-10+/t14-/m1/s1
InChIKeySOIINPMZVHXYQV-MDELPWASSA-N
MW237.39 g/mol
LogP2.37
Rot. Bonds7

About (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine

(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine (PubChem CID 88976883) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine.

Molecular Properties

Compound Name(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine
PubChem CID88976883
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine
SMILESC/C=C(/C)N(CC)[C@@H](N)/C(=C/C=C\CC)CN
InChIInChI=1S/C14H27N3/c1-5-8-9-10-13(11-15)14(16)17(7-3)12(4)6-2/h6,8-10,14H,5,7,11,15-16H2,1-4H3/b9-8-,12-6-,13-10+/t14-/m1/s1
InChIKeySOIINPMZVHXYQV-MDELPWASSA-N
XLogP2.37
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine?
The IUPAC name of (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine (CID 88976883) is (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine.
What is the SMILES notation for (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine?
The canonical SMILES for (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine is C/C=C(/C)N(CC)[C@@H](N)/C(=C/C=C\CC)CN.
What is the InChIKey of (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine?
The InChIKey is SOIINPMZVHXYQV-MDELPWASSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-9-10-13(11-15)14(16)17(7-3)12(4)6-2/h6,8-10,14H,5,7,11,15-16H2,1-4H3/b9-8-,12-6-,13-10+/t14-/m1/s1.
What are the key properties of (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine?
(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine has a molecular weight of 237.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine is sourced from PubChem (CID 88976883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).