N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine

C20H39N3 — CID 154497030

IUPACN'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine
SMILESNCCCNCCCN1CCCC/C=C\CC/C=C/CCCC1
InChIInChI=1S/C20H39N3/c21-15-13-16-22-17-14-20-23-18-11-9-7-5-3-1-2-4-6-8-10-12-19-23/h3-6,22H,1-2,7-21H2/b5-3-,6-4+
InChIKeyBNIIKEMOZLAHRJ-CIIODKQPSA-N
MW321.55 g/mol
LogP3.86
Rot. Bonds7

About N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine

N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine (PubChem CID 154497030) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine
PubChem CID154497030
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC NameN'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine
SMILESNCCCNCCCN1CCCC/C=C\CC/C=C/CCCC1
InChIInChI=1S/C20H39N3/c21-15-13-16-22-17-14-20-23-18-11-9-7-5-3-1-2-4-6-8-10-12-19-23/h3-6,22H,1-2,7-21H2/b5-3-,6-4+
InChIKeyBNIIKEMOZLAHRJ-CIIODKQPSA-N
XLogP3.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-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

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine (CID 154497030) is N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine is NCCCNCCCN1CCCC/C=C\CC/C=C/CCCC1.
What is the InChIKey of N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine?
The InChIKey is BNIIKEMOZLAHRJ-CIIODKQPSA-N. The full InChI is InChI=1S/C20H39N3/c21-15-13-16-22-17-14-20-23-18-11-9-7-5-3-1-2-4-6-8-10-12-19-23/h3-6,22H,1-2,7-21H2/b5-3-,6-4+.
What are the key properties of N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine?
N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine has a molecular weight of 321.55 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(6E,10Z)-1-azacyclopentadeca-6,10-dien-1-yl]propyl]propane-1,3-diamine is sourced from PubChem (CID 154497030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).