1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine

C8H21N3 — CID 166769327

IUPAC1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine
SMILESCNCC(NC)C(C)N(C)C
InChIInChI=1S/C8H21N3/c1-7(11(4)5)8(10-3)6-9-2/h7-10H,6H2,1-5H3
InChIKeyVTRGCWJDBUBINQ-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.26
Rot. Bonds5

About 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine

1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine (PubChem CID 166769327) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine.

Molecular Properties

Compound Name1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine
PubChem CID166769327
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine
SMILESCNCC(NC)C(C)N(C)C
InChIInChI=1S/C8H21N3/c1-7(11(4)5)8(10-3)6-9-2/h7-10H,6H2,1-5H3
InChIKeyVTRGCWJDBUBINQ-UHFFFAOYSA-N
XLogP-0.26
TPSA27.30 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 ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 54087327
(3R)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 59946423
(2R)-N-methyl-2-phosphanylpropan-1-amine
CID 171624131
cyclopentane;1-N,1-N,1-N',1-N',2-N-pentamethylethane-1,1,2-triamine
CID 162293732
N-methyl-2-[methyl(methylamino)amino]propan-1-amine
CID 147867609
2-N,2-N,3-N,3-N-tetramethylbutane-2,3-diamine;hydrochloride
CID 175121214
2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62418881
(2R)-1-N,3-dimethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 166718424
2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 89484583
1-N,2-dimethyl-3-N,3-N-bis(2-methylpropyl)butane-1,3-diamine
CID 79409781
3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413928
N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 22692516

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine?
The IUPAC name of 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine (CID 166769327) is 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine.
What is the SMILES notation for 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine?
The canonical SMILES for 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine is CNCC(NC)C(C)N(C)C.
What is the InChIKey of 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine?
The InChIKey is VTRGCWJDBUBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-7(11(4)5)8(10-3)6-9-2/h7-10H,6H2,1-5H3.
What are the key properties of 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine?
1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine has a molecular weight of 159.28 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N,3-N-tetramethylbutane-1,2,3-triamine is sourced from PubChem (CID 166769327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).