3-N-methylpropane-1,1,1,3-tetramine

C4H14N4 — CID 174312899

IUPAC3-N-methylpropane-1,1,1,3-tetramine
SMILESCNCCC(N)(N)N
InChIInChI=1S/C4H14N4/c1-8-3-2-4(5,6)7/h8H,2-3,5-7H2,1H3
InChIKeyILEWCBQKPKGBJE-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.87
Rot. Bonds3

About 3-N-methylpropane-1,1,1,3-tetramine

3-N-methylpropane-1,1,1,3-tetramine (PubChem CID 174312899) has the molecular formula C4H14N4 and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-N-methylpropane-1,1,1,3-tetramine.

Molecular Properties

Compound Name3-N-methylpropane-1,1,1,3-tetramine
PubChem CID174312899
Molecular FormulaC4H14N4
Molecular Weight118.18 g/mol
Exact Mass118.12
IUPAC Name3-N-methylpropane-1,1,1,3-tetramine
SMILESCNCCC(N)(N)N
InChIInChI=1S/C4H14N4/c1-8-3-2-4(5,6)7/h8H,2-3,5-7H2,1H3
InChIKeyILEWCBQKPKGBJE-UHFFFAOYSA-N
XLogP-1.87
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-N-methylpropane-1,1,1,3-tetramine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,3,4,4-pentamethylpentan-1-amine
CID 81022686
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
2-N'-[2-(methylamino)ethyl]propane-2,2-diamine
CID 146184269
ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
(Z)-1-N,3-dimethyldec-6-ene-1,3-diamine
CID 134526562
1-N-methyl-4-phenylbutane-1,3,3-triamine
CID 141382492
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine
CID 141114653
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
N,N'-dimethyl-1,1-dinitrosopropane-1,3-diamine
CID 57157870
2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488

Frequently Asked Questions

What is the IUPAC name of 3-N-methylpropane-1,1,1,3-tetramine?
The IUPAC name of 3-N-methylpropane-1,1,1,3-tetramine (CID 174312899) is 3-N-methylpropane-1,1,1,3-tetramine.
What is the SMILES notation for 3-N-methylpropane-1,1,1,3-tetramine?
The canonical SMILES for 3-N-methylpropane-1,1,1,3-tetramine is CNCCC(N)(N)N.
What is the InChIKey of 3-N-methylpropane-1,1,1,3-tetramine?
The InChIKey is ILEWCBQKPKGBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4/c1-8-3-2-4(5,6)7/h8H,2-3,5-7H2,1H3.
What are the key properties of 3-N-methylpropane-1,1,1,3-tetramine?
3-N-methylpropane-1,1,1,3-tetramine has a molecular weight of 118.18 g/mol, XLogP of -1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methylpropane-1,1,1,3-tetramine is sourced from PubChem (CID 174312899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).