N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide

C15H27N3O — CID 163942495

IUPACN-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide
SMILESC=C(/C=C\C(=C)N(CCC)CCCNCC)NC=O
InChIInChI=1S/C15H27N3O/c1-5-11-18(12-7-10-16-6-2)15(4)9-8-14(3)17-13-19/h8-9,13,16H,3-7,10-12H2,1-2H3,(H,17,19)/b9-8-
InChIKeyRSFJGFMHAIXIMY-HJWRWDBZSA-N
MW265.40 g/mol
LogP2.03
Rot. Bonds12

About N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide

N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide (PubChem CID 163942495) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide.

Molecular Properties

Compound NameN-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide
PubChem CID163942495
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide
SMILESC=C(/C=C\C(=C)N(CCC)CCCNCC)NC=O
InChIInChI=1S/C15H27N3O/c1-5-11-18(12-7-10-16-6-2)15(4)9-8-14(3)17-13-19/h8-9,13,16H,3-7,10-12H2,1-2H3,(H,17,19)/b9-8-
InChIKeyRSFJGFMHAIXIMY-HJWRWDBZSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide 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 N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide?
The IUPAC name of N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide (CID 163942495) is N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide.
What is the SMILES notation for N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide?
The canonical SMILES for N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide is C=C(/C=C\C(=C)N(CCC)CCCNCC)NC=O.
What is the InChIKey of N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide?
The InChIKey is RSFJGFMHAIXIMY-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-11-18(12-7-10-16-6-2)15(4)9-8-14(3)17-13-19/h8-9,13,16H,3-7,10-12H2,1-2H3,(H,17,19)/b9-8-.
What are the key properties of N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide?
N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide has a molecular weight of 265.40 g/mol, XLogP of 2.03, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-[3-(ethylamino)propyl-propylamino]hexa-1,3,5-trien-2-yl]formamide is sourced from PubChem (CID 163942495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).