2-N,2-N-dimethylbutane-1,2,4-triamine

C6H17N3 — CID 18471403

IUPAC2-N,2-N-dimethylbutane-1,2,4-triamine
SMILESCN(C)C(CN)CCN
InChIInChI=1S/C6H17N3/c1-9(2)6(5-8)3-4-7/h6H,3-5,7-8H2,1-2H3
InChIKeyUNYMMHPGJMGGDJ-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.78
Rot. Bonds4

About 2-N,2-N-dimethylbutane-1,2,4-triamine

2-N,2-N-dimethylbutane-1,2,4-triamine (PubChem CID 18471403) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-N,2-N-dimethylbutane-1,2,4-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethylbutane-1,2,4-triamine
PubChem CID18471403
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name2-N,2-N-dimethylbutane-1,2,4-triamine
SMILESCN(C)C(CN)CCN
InChIInChI=1S/C6H17N3/c1-9(2)6(5-8)3-4-7/h6H,3-5,7-8H2,1-2H3
InChIKeyUNYMMHPGJMGGDJ-UHFFFAOYSA-N
XLogP-0.78
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-dimethylhex-5-ene-1,3-diamine
CID 87074898
2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
2-N,2-N,4,4-tetramethylpentane-1,2-diamine
CID 62950039
4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine
CID 112500996
4-amino-3-(dimethylamino)butanamide
CID 66427747
3-N-ethyl-3-N-methylhexane-1,3-diamine
CID 59020922
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
3-N,3-N-dimethyl-4-(3-methylphenoxy)butane-1,3-diamine
CID 112500984
4-N,4-N,6-trimethylheptane-1,4-diamine
CID 116905112
[5-amino-2-(dimethylamino)pentyl]-trimethylazanium
CID 91479643
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethylbutane-1,2,4-triamine?
The IUPAC name of 2-N,2-N-dimethylbutane-1,2,4-triamine (CID 18471403) is 2-N,2-N-dimethylbutane-1,2,4-triamine.
What is the SMILES notation for 2-N,2-N-dimethylbutane-1,2,4-triamine?
The canonical SMILES for 2-N,2-N-dimethylbutane-1,2,4-triamine is CN(C)C(CN)CCN.
What is the InChIKey of 2-N,2-N-dimethylbutane-1,2,4-triamine?
The InChIKey is UNYMMHPGJMGGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-9(2)6(5-8)3-4-7/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 2-N,2-N-dimethylbutane-1,2,4-triamine?
2-N,2-N-dimethylbutane-1,2,4-triamine has a molecular weight of 131.22 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethylbutane-1,2,4-triamine is sourced from PubChem (CID 18471403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).