2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile

C15H29N3 — CID 115234404

IUPAC2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile
SMILESCN1CCC(C(C)(C)CNCC(C)(C)C#N)CC1
InChIInChI=1S/C15H29N3/c1-14(2,10-16)11-17-12-15(3,4)13-6-8-18(5)9-7-13/h13,17H,6-9,11-12H2,1-5H3
InChIKeyXTZJRFKZQOFRSZ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.49
Rot. Bonds5

About 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile

2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile (PubChem CID 115234404) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile
PubChem CID115234404
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile
SMILESCN1CCC(C(C)(C)CNCC(C)(C)C#N)CC1
InChIInChI=1S/C15H29N3/c1-14(2,10-16)11-17-12-15(3,4)13-6-8-18(5)9-7-13/h13,17H,6-9,11-12H2,1-5H3
InChIKeyXTZJRFKZQOFRSZ-UHFFFAOYSA-N
XLogP2.49
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
CID 115200323
2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463
1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine
CID 115204173
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676
2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
CID 115223620
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115162294
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
CID 104587106
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297
2,2-dimethyl-3-(oxan-4-ylmethylamino)propanenitrile
CID 104587192
2,2-dimethyl-3-(oxan-3-ylmethylamino)propanenitrile
CID 104587296

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile (CID 115234404) is 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile is CN1CCC(C(C)(C)CNCC(C)(C)C#N)CC1.
What is the InChIKey of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile?
The InChIKey is XTZJRFKZQOFRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-14(2,10-16)11-17-12-15(3,4)13-6-8-18(5)9-7-13/h13,17H,6-9,11-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile?
2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile is sourced from PubChem (CID 115234404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).