3-N-methyl-3-N-propylbutane-1,3-diamine

C8H20N2 — CID 60912978

IUPAC3-N-methyl-3-N-propylbutane-1,3-diamine
SMILESCCCN(C)C(C)CCN
InChIInChI=1S/C8H20N2/c1-4-7-10(3)8(2)5-6-9/h8H,4-7,9H2,1-3H3
InChIKeyIQDUGMQZCUBZDE-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.07
Rot. Bonds5

About 3-N-methyl-3-N-propylbutane-1,3-diamine

3-N-methyl-3-N-propylbutane-1,3-diamine (PubChem CID 60912978) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-N-methyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-propylbutane-1,3-diamine
PubChem CID60912978
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-N-methyl-3-N-propylbutane-1,3-diamine
SMILESCCCN(C)C(C)CCN
InChIInChI=1S/C8H20N2/c1-4-7-10(3)8(2)5-6-9/h8H,4-7,9H2,1-3H3
InChIKeyIQDUGMQZCUBZDE-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-methyl-3-N-propylbutane-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 3-N-methyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-propylbutane-1,3-diamine (CID 60912978) is 3-N-methyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-propylbutane-1,3-diamine is CCCN(C)C(C)CCN.
What is the InChIKey of 3-N-methyl-3-N-propylbutane-1,3-diamine?
The InChIKey is IQDUGMQZCUBZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-7-10(3)8(2)5-6-9/h8H,4-7,9H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-propylbutane-1,3-diamine?
3-N-methyl-3-N-propylbutane-1,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 60912978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).