4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile

C15H29N3 — CID 106616669

IUPAC4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
SMILESCCCCN(CCC(C)(C)C#N)CC1CCCN1
InChIInChI=1S/C15H29N3/c1-4-5-10-18(11-8-15(2,3)13-16)12-14-7-6-9-17-14/h14,17H,4-12H2,1-3H3
InChIKeyUKTVQVPRJSZDLH-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds8

About 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile

4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 106616669) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
PubChem CID106616669
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
SMILESCCCCN(CCC(C)(C)C#N)CC1CCCN1
InChIInChI=1S/C15H29N3/c1-4-5-10-18(11-8-15(2,3)13-16)12-14-7-6-9-17-14/h14,17H,4-12H2,1-3H3
InChIKeyUKTVQVPRJSZDLH-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpentanenitrile
CID 106617573
6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylhexanenitrile
CID 106713476
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106613827
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615615
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile (CID 106616669) is 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile is CCCCN(CCC(C)(C)C#N)CC1CCCN1.
What is the InChIKey of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is UKTVQVPRJSZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-5-10-18(11-8-15(2,3)13-16)12-14-7-6-9-17-14/h14,17H,4-12H2,1-3H3.
What are the key properties of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 106616669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).