N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine

C19H39N3 — CID 85309053

IUPACN'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine
SMILESNCCCNCCCN1CCCC=CCCCCCCCC1
InChIInChI=1S/C19H39N3/c20-14-12-15-21-16-13-19-22-17-10-8-6-4-2-1-3-5-7-9-11-18-22/h4,6,21H,1-3,5,7-20H2
InChIKeyPAGJYXPPGFEHFK-UHFFFAOYSA-N
MW309.54 g/mol
LogP3.70
Rot. Bonds7

About N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine

N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine (PubChem CID 85309053) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine
PubChem CID85309053
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC NameN'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine
SMILESNCCCNCCCN1CCCC=CCCCCCCCC1
InChIInChI=1S/C19H39N3/c20-14-12-15-21-16-13-19-22-17-10-8-6-4-2-1-3-5-7-9-11-18-22/h4,6,21H,1-3,5,7-20H2
InChIKeyPAGJYXPPGFEHFK-UHFFFAOYSA-N
XLogP3.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.70
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine (CID 85309053) is N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine is NCCCNCCCN1CCCC=CCCCCCCCC1.
What is the InChIKey of N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine?
The InChIKey is PAGJYXPPGFEHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3/c20-14-12-15-21-16-13-19-22-17-10-8-6-4-2-1-3-5-7-9-11-18-22/h4,6,21H,1-3,5,7-20H2.
What are the key properties of N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine?
N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine has a molecular weight of 309.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 85309053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).