2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile

C10H21N3 — CID 15063432

IUPAC2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile
SMILESCN(C)CC(C)(C)C(C#N)N(C)C
InChIInChI=1S/C10H21N3/c1-10(2,8-12(3)4)9(7-11)13(5)6/h9H,8H2,1-6H3
InChIKeyMKJFRIKNLZSMEX-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.03
Rot. Bonds4

About 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile

2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile (PubChem CID 15063432) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile
PubChem CID15063432
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile
SMILESCN(C)CC(C)(C)C(C#N)N(C)C
InChIInChI=1S/C10H21N3/c1-10(2,8-12(3)4)9(7-11)13(5)6/h9H,8H2,1-6H3
InChIKeyMKJFRIKNLZSMEX-UHFFFAOYSA-N
XLogP1.03
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Qnrrzrjzlkeher-uhfffaoysa-
CID 13464692
1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine
CID 19426586
3-Methyl-1-propan-2-ylpyrrolidine-3-carbonitrile
CID 58029648
3-[3,3-Dimethylbutyl(methyl)amino]propanenitrile
CID 60684407
3-[3,3-Dimethylbutan-2-yl(methyl)amino]propanenitrile
CID 60745327
2-[3,3-Dimethylbutan-2-yl(methyl)amino]acetonitrile
CID 60750932
2-(Diethylamino)-3,3-dimethylbutanenitrile
CID 61326840
2-[3,3-Dimethylbutyl(propan-2-yl)amino]acetonitrile
CID 64473459
4-(Dimethylamino)-2,2-dimethylbutanenitrile
CID 65252047
1-[[Methyl(propan-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242049
2-[[Methyl(propan-2-yl)amino]methyl]butanenitrile
CID 115253600
4-[Ethyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 123736635

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile?
The IUPAC name of 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile (CID 15063432) is 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile.
What is the SMILES notation for 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile?
The canonical SMILES for 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile is CN(C)CC(C)(C)C(C#N)N(C)C.
What is the InChIKey of 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile?
The InChIKey is MKJFRIKNLZSMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2,8-12(3)4)9(7-11)13(5)6/h9H,8H2,1-6H3.
What are the key properties of 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile?
2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile has a molecular weight of 183.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(dimethylamino)-3,3-dimethylbutanenitrile is sourced from PubChem (CID 15063432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).