1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine

C13H31N3 — CID 175352703

IUPAC1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine
SMILESCCN(CC)C(CC)(N(C)C)N(CC)CC
InChIInChI=1S/C13H31N3/c1-8-13(14(6)7,15(9-2)10-3)16(11-4)12-5/h8-12H2,1-7H3
InChIKeyKAPCMRVPWXYEMH-UHFFFAOYSA-N
MW229.41 g/mol
LogP2.30
Rot. Bonds8

About 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine

1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine (PubChem CID 175352703) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine.

Molecular Properties

Compound Name1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine
PubChem CID175352703
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine
SMILESCCN(CC)C(CC)(N(C)C)N(CC)CC
InChIInChI=1S/C13H31N3/c1-8-13(14(6)7,15(9-2)10-3)16(11-4)12-5/h8-12H2,1-7H3
InChIKeyKAPCMRVPWXYEMH-UHFFFAOYSA-N
XLogP2.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethane;N-ethyl-N-methylethanamine;propane
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CID 145153553

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine?
The IUPAC name of 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine (CID 175352703) is 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine.
What is the SMILES notation for 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine?
The canonical SMILES for 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine is CCN(CC)C(CC)(N(C)C)N(CC)CC.
What is the InChIKey of 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine?
The InChIKey is KAPCMRVPWXYEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-8-13(14(6)7,15(9-2)10-3)16(11-4)12-5/h8-12H2,1-7H3.
What are the key properties of 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine?
1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine has a molecular weight of 229.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine is sourced from PubChem (CID 175352703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).