N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine

C37H74N2 — CID 88508364

IUPACN'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine
SMILESCCCCCCCCCCCCCCC=C(C=CCCCCCCCCCCCCCCCC)NCCCN
InChIInChI=1S/C37H74N2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-37(39-36-32-35-38)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,33-34,39H,3-30,32,35-36,38H2,1-2H3
InChIKeyMNFYLKNMQBWMSU-UHFFFAOYSA-N
MW547.01 g/mol
LogP12.33
Rot. Bonds33

About N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine

N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine (PubChem CID 88508364) has the molecular formula C37H74N2 and a molecular weight of 547.01 g/mol. Its IUPAC name is N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine
PubChem CID88508364
Molecular FormulaC37H74N2
Molecular Weight547.01 g/mol
Exact Mass546.59
IUPAC NameN'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine
SMILESCCCCCCCCCCCCCCC=C(C=CCCCCCCCCCCCCCCCC)NCCCN
InChIInChI=1S/C37H74N2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-37(39-36-32-35-38)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,33-34,39H,3-30,32,35-36,38H2,1-2H3
InChIKeyMNFYLKNMQBWMSU-UHFFFAOYSA-N
XLogP12.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.01
LogP ≤ 512.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine?
The IUPAC name of N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine (CID 88508364) is N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine.
What is the SMILES notation for N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine?
The canonical SMILES for N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine is CCCCCCCCCCCCCCC=C(C=CCCCCCCCCCCCCCCCC)NCCCN.
What is the InChIKey of N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine?
The InChIKey is MNFYLKNMQBWMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-37(39-36-32-35-38)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,33-34,39H,3-30,32,35-36,38H2,1-2H3.
What are the key properties of N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine?
N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine has a molecular weight of 547.01 g/mol, XLogP of 12.33, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tetratriaconta-15,17-dien-16-ylpropane-1,3-diamine is sourced from PubChem (CID 88508364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).