1-N"-ethylpropane-1,1,1-triamine

C5H15N3 — CID 155147575

IUPAC1-N"-ethylpropane-1,1,1-triamine
SMILESCCNC(N)(N)CC
InChIInChI=1S/C5H15N3/c1-3-5(6,7)8-4-2/h8H,3-4,6-7H2,1-2H3
InChIKeyZZMZFSURTIUAMA-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.42
Rot. Bonds3

About 1-N"-ethylpropane-1,1,1-triamine

1-N"-ethylpropane-1,1,1-triamine (PubChem CID 155147575) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is 1-N"-ethylpropane-1,1,1-triamine.

Molecular Properties

Compound Name1-N"-ethylpropane-1,1,1-triamine
PubChem CID155147575
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name1-N"-ethylpropane-1,1,1-triamine
SMILESCCNC(N)(N)CC
InChIInChI=1S/C5H15N3/c1-3-5(6,7)8-4-2/h8H,3-4,6-7H2,1-2H3
InChIKeyZZMZFSURTIUAMA-UHFFFAOYSA-N
XLogP-0.42
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N"-ethylpropane-1,1,1-triamine 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

1-N",2-diethylbutane-1,1,1,2-tetramine
CID 21242428
1-N"-undecylpropane-1,1,1-triamine
CID 54090869
2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine
CID 163781431
3-cyclopentyl-1-N"-ethylpropane-1,1,1-triamine
CID 91162180
2-N,2-diethylbutane-1,2-diamine
CID 62066019
2-methylbutan-2-amine;propane
CID 91035545
bis(2-methylpropan-2-amine);propane
CID 160822364
N-ethyl-3-silylpentan-3-amine
CID 173065045
1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride
CID 161482790
2-ethyl-2-(ethylamino)butanamide
CID 60786562
2-aminobutan-2-ol;propane
CID 174346487
3,3-dimethylpentane;propane
CID 90942978

Frequently Asked Questions

What is the IUPAC name of 1-N"-ethylpropane-1,1,1-triamine?
The IUPAC name of 1-N"-ethylpropane-1,1,1-triamine (CID 155147575) is 1-N"-ethylpropane-1,1,1-triamine.
What is the SMILES notation for 1-N"-ethylpropane-1,1,1-triamine?
The canonical SMILES for 1-N"-ethylpropane-1,1,1-triamine is CCNC(N)(N)CC.
What is the InChIKey of 1-N"-ethylpropane-1,1,1-triamine?
The InChIKey is ZZMZFSURTIUAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-3-5(6,7)8-4-2/h8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-N"-ethylpropane-1,1,1-triamine?
1-N"-ethylpropane-1,1,1-triamine has a molecular weight of 117.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N"-ethylpropane-1,1,1-triamine is sourced from PubChem (CID 155147575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).