N'-methyl-N'-prop-2-enylbutane-1,4-diamine

C8H18N2 — CID 21122644

IUPACN'-methyl-N'-prop-2-enylbutane-1,4-diamine
SMILESC=CCN(C)CCCCN
InChIInChI=1S/C8H18N2/c1-3-7-10(2)8-5-4-6-9/h3H,1,4-9H2,2H3
InChIKeyCLNFWYZNUZHPII-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.84
Rot. Bonds6

About N'-methyl-N'-prop-2-enylbutane-1,4-diamine

N'-methyl-N'-prop-2-enylbutane-1,4-diamine (PubChem CID 21122644) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-methyl-N'-prop-2-enylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-prop-2-enylbutane-1,4-diamine
PubChem CID21122644
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-methyl-N'-prop-2-enylbutane-1,4-diamine
SMILESC=CCN(C)CCCCN
InChIInChI=1S/C8H18N2/c1-3-7-10(2)8-5-4-6-9/h3H,1,4-9H2,2H3
InChIKeyCLNFWYZNUZHPII-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-prop-2-enylbutane-1,4-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'-prop-2-enylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-prop-2-enylbutane-1,4-diamine (CID 21122644) is N'-methyl-N'-prop-2-enylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-prop-2-enylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-prop-2-enylbutane-1,4-diamine is C=CCN(C)CCCCN.
What is the InChIKey of N'-methyl-N'-prop-2-enylbutane-1,4-diamine?
The InChIKey is CLNFWYZNUZHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-7-10(2)8-5-4-6-9/h3H,1,4-9H2,2H3.
What are the key properties of N'-methyl-N'-prop-2-enylbutane-1,4-diamine?
N'-methyl-N'-prop-2-enylbutane-1,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-prop-2-enylbutane-1,4-diamine is sourced from PubChem (CID 21122644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).