N"-butan-2-yl-N',N"-dimethylmethanetriamine

C7H19N3 — CID 129045479

IUPACN"-butan-2-yl-N',N"-dimethylmethanetriamine
SMILESCCC(C)N(C)C(N)NC
InChIInChI=1S/C7H19N3/c1-5-6(2)10(4)7(8)9-3/h6-7,9H,5,8H2,1-4H3
InChIKeySYBWPXVWKXKBLC-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.18
Rot. Bonds4

About N"-butan-2-yl-N',N"-dimethylmethanetriamine

N"-butan-2-yl-N',N"-dimethylmethanetriamine (PubChem CID 129045479) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is N"-butan-2-yl-N',N"-dimethylmethanetriamine.

Molecular Properties

Compound NameN"-butan-2-yl-N',N"-dimethylmethanetriamine
PubChem CID129045479
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC NameN"-butan-2-yl-N',N"-dimethylmethanetriamine
SMILESCCC(C)N(C)C(N)NC
InChIInChI=1S/C7H19N3/c1-5-6(2)10(4)7(8)9-3/h6-7,9H,5,8H2,1-4H3
InChIKeySYBWPXVWKXKBLC-UHFFFAOYSA-N
XLogP0.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
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

2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62418881
2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
CID 83043329
1-[methyl(methylamino)amino]propan-1-amine
CID 170033538
3-[butan-2-yl(methyl)amino]butanethioamide
CID 60913502
1-N'-methyl-1-N'-[1-(2-methylhydrazinyl)propan-2-yl]ethane-1,1-diamine
CID 134341698
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62419355
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078
N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol
CID 19889994
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080

Frequently Asked Questions

What is the IUPAC name of N"-butan-2-yl-N',N"-dimethylmethanetriamine?
The IUPAC name of N"-butan-2-yl-N',N"-dimethylmethanetriamine (CID 129045479) is N"-butan-2-yl-N',N"-dimethylmethanetriamine.
What is the SMILES notation for N"-butan-2-yl-N',N"-dimethylmethanetriamine?
The canonical SMILES for N"-butan-2-yl-N',N"-dimethylmethanetriamine is CCC(C)N(C)C(N)NC.
What is the InChIKey of N"-butan-2-yl-N',N"-dimethylmethanetriamine?
The InChIKey is SYBWPXVWKXKBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-5-6(2)10(4)7(8)9-3/h6-7,9H,5,8H2,1-4H3.
What are the key properties of N"-butan-2-yl-N',N"-dimethylmethanetriamine?
N"-butan-2-yl-N',N"-dimethylmethanetriamine has a molecular weight of 145.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-butan-2-yl-N',N"-dimethylmethanetriamine is sourced from PubChem (CID 129045479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).