N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine

C15H28N2 — CID 89209356

IUPACN-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine
SMILESC#CCC/C=C(\CCC)NCCCCCNC
InChIInChI=1S/C15H28N2/c1-4-6-8-12-15(11-5-2)17-14-10-7-9-13-16-3/h1,12,16-17H,5-11,13-14H2,2-3H3/b15-12+
InChIKeyARJAMQAYRCRXPF-NTCAYCPXSA-N
MW236.40 g/mol
LogP3.06
Rot. Bonds11

About N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine

N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine (PubChem CID 89209356) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine
PubChem CID89209356
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine
SMILESC#CCC/C=C(\CCC)NCCCCCNC
InChIInChI=1S/C15H28N2/c1-4-6-8-12-15(11-5-2)17-14-10-7-9-13-16-3/h1,12,16-17H,5-11,13-14H2,2-3H3/b15-12+
InChIKeyARJAMQAYRCRXPF-NTCAYCPXSA-N
XLogP3.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-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-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine?
The IUPAC name of N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine (CID 89209356) is N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine.
What is the SMILES notation for N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine?
The canonical SMILES for N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine is C#CCC/C=C(\CCC)NCCCCCNC.
What is the InChIKey of N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine?
The InChIKey is ARJAMQAYRCRXPF-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-8-12-15(11-5-2)17-14-10-7-9-13-16-3/h1,12,16-17H,5-11,13-14H2,2-3H3/b15-12+.
What are the key properties of N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine?
N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.06, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(E)-non-4-en-8-yn-4-yl]pentane-1,5-diamine is sourced from PubChem (CID 89209356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).