2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile

C13H25N3 — CID 63848896

IUPAC2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCCCC1CNC(C)C
InChIInChI=1S/C13H25N3/c1-4-12(9-14)16-8-6-5-7-13(16)10-15-11(2)3/h11-13,15H,4-8,10H2,1-3H3
InChIKeyHNZJTPNXZOOAHL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile

2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile (PubChem CID 63848896) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile
PubChem CID63848896
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCCCC1CNC(C)C
InChIInChI=1S/C13H25N3/c1-4-12(9-14)16-8-6-5-7-13(16)10-15-11(2)3/h11-13,15H,4-8,10H2,1-3H3
InChIKeyHNZJTPNXZOOAHL-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]butanenitrile
CID 115312740
methyl 2-[1-(1-cyanopropyl)piperidin-2-yl]acetate
CID 62027711
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanenitrile
CID 55207107
1-cyclopropyl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]ethanamine
CID 115895087
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile
CID 103353322
2-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]butanenitrile
CID 130719228
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile
CID 63250043
2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
CID 104692341
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile?
The IUPAC name of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile (CID 63848896) is 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile.
What is the SMILES notation for 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile?
The canonical SMILES for 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile is CCC(C#N)N1CCCCC1CNC(C)C.
What is the InChIKey of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile?
The InChIKey is HNZJTPNXZOOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-12(9-14)16-8-6-5-7-13(16)10-15-11(2)3/h11-13,15H,4-8,10H2,1-3H3.
What are the key properties of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile?
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile is sourced from PubChem (CID 63848896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).