N,N'-dimethyl-N"-propan-2-ylmethanetriamine

C6H17N3 — CID 171585819

IUPACN,N'-dimethyl-N"-propan-2-ylmethanetriamine
SMILESCNC(NC)NC(C)C
InChIInChI=1S/C6H17N3/c1-5(2)9-6(7-3)8-4/h5-9H,1-4H3
InChIKeyRKRBBYGVGWJPTQ-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.29
Rot. Bonds4

About N,N'-dimethyl-N"-propan-2-ylmethanetriamine

N,N'-dimethyl-N"-propan-2-ylmethanetriamine (PubChem CID 171585819) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is N,N'-dimethyl-N"-propan-2-ylmethanetriamine.

Molecular Properties

Compound NameN,N'-dimethyl-N"-propan-2-ylmethanetriamine
PubChem CID171585819
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC NameN,N'-dimethyl-N"-propan-2-ylmethanetriamine
SMILESCNC(NC)NC(C)C
InChIInChI=1S/C6H17N3/c1-5(2)9-6(7-3)8-4/h5-9H,1-4H3
InChIKeyRKRBBYGVGWJPTQ-UHFFFAOYSA-N
XLogP-0.29
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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

Diisopropylthiourea
CID 2758386
3,5-Diaza-octane
CID 89149849
1,3,5-Triazaheptan
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Tris(isopropylamino)methylphosphonium iodide
CID 129766754
2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine
CID 3461159
1-N,1-N'-di(propan-2-yl)ethane-1,1-diamine
CID 5232510
1-N,1-N'-di(propan-2-yl)ethene-1,1-diamine
CID 12161841
N,N'-di(propan-2-yl)methanediamine
CID 12447463
N,N'-di(butan-2-yl)methanediamine
CID 12447465
N,N'-diethylmethanediamine
CID 15191343
1-N'-ethyl-1-N-methylpropane-1,1-diamine
CID 18541090
1-N'-propan-2-ylpropane-1,1-diamine
CID 18674573

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N"-propan-2-ylmethanetriamine?
The IUPAC name of N,N'-dimethyl-N"-propan-2-ylmethanetriamine (CID 171585819) is N,N'-dimethyl-N"-propan-2-ylmethanetriamine.
What is the SMILES notation for N,N'-dimethyl-N"-propan-2-ylmethanetriamine?
The canonical SMILES for N,N'-dimethyl-N"-propan-2-ylmethanetriamine is CNC(NC)NC(C)C.
What is the InChIKey of N,N'-dimethyl-N"-propan-2-ylmethanetriamine?
The InChIKey is RKRBBYGVGWJPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-5(2)9-6(7-3)8-4/h5-9H,1-4H3.
What are the key properties of N,N'-dimethyl-N"-propan-2-ylmethanetriamine?
N,N'-dimethyl-N"-propan-2-ylmethanetriamine has a molecular weight of 131.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N"-propan-2-ylmethanetriamine is sourced from PubChem (CID 171585819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).