2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile

C15H30N4 — CID 63211108

IUPAC2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C)(C#N)CCN(C)CCN1CCCC1
InChIInChI=1S/C15H30N4/c1-14(2)17-15(3,13-16)7-10-18(4)11-12-19-8-5-6-9-19/h14,17H,5-12H2,1-4H3
InChIKeyFIHJBQUVVCQDCU-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.68
Rot. Bonds8

About 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile

2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile (PubChem CID 63211108) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile
PubChem CID63211108
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C)(C#N)CCN(C)CCN1CCCC1
InChIInChI=1S/C15H30N4/c1-14(2)17-15(3,13-16)7-10-18(4)11-12-19-8-5-6-9-19/h14,17H,5-12H2,1-4H3
InChIKeyFIHJBQUVVCQDCU-UHFFFAOYSA-N
XLogP1.68
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 55157283
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 63159395
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 63151177
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 62992779
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64790274
2-ethyl-2-(ethylamino)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanenitrile
CID 106803619
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63211201
5-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 62231173
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile (CID 63211108) is 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile is CC(C)NC(C)(C#N)CCN(C)CCN1CCCC1.
What is the InChIKey of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile?
The InChIKey is FIHJBQUVVCQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-14(2)17-15(3,13-16)7-10-18(4)11-12-19-8-5-6-9-19/h14,17H,5-12H2,1-4H3.
What are the key properties of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile?
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63211108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).