1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine

C8H21N3 — CID 118624734

IUPAC1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine
SMILESCCCNC(N)(CC)N(C)C
InChIInChI=1S/C8H21N3/c1-5-7-10-8(9,6-2)11(3)4/h10H,5-7,9H2,1-4H3
InChIKeySJLODOWHOJMUFG-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.57
Rot. Bonds5

About 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine

1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine (PubChem CID 118624734) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine.

Molecular Properties

Compound Name1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine
PubChem CID118624734
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine
SMILESCCCNC(N)(CC)N(C)C
InChIInChI=1S/C8H21N3/c1-5-7-10-8(9,6-2)11(3)4/h10H,5-7,9H2,1-4H3
InChIKeySJLODOWHOJMUFG-UHFFFAOYSA-N
XLogP0.57
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N",1-N"-dimethyl-1-N'-propylpropane-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"-propylbutane-1,1,1-triamine
CID 91113013
1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine
CID 87177269
2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide
CID 173333878
1-N,1-N'-dipropyl-1-silylethane-1,1-diamine
CID 174202627
1-chloro-2-methyl-N-propylbutan-2-amine
CID 65024728
1,1,1-trifluoro-2-methyl-N-propylbutan-2-amine
CID 66204976
1-N,1-N',1-N"-tripropyl-2-silylethane-1,1,1-triamine
CID 123764566
1-N"-undecylpropane-1,1,1-triamine
CID 54090869
2-amino-2-(dimethylamino)butanal
CID 87544276
3-N'-(2-aminoethyl)pentane-3,3-diamine
CID 174433772
1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride
CID 19354702
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229

Frequently Asked Questions

What is the IUPAC name of 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine?
The IUPAC name of 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine (CID 118624734) is 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine.
What is the SMILES notation for 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine?
The canonical SMILES for 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine is CCCNC(N)(CC)N(C)C.
What is the InChIKey of 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine?
The InChIKey is SJLODOWHOJMUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-5-7-10-8(9,6-2)11(3)4/h10H,5-7,9H2,1-4H3.
What are the key properties of 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine?
1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine has a molecular weight of 159.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N",1-N"-dimethyl-1-N'-propylpropane-1,1,1-triamine is sourced from PubChem (CID 118624734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).