2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile

C12H23N3 — CID 115887467

IUPAC2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile
SMILESCCC(C)CNC1CCN(CC#N)CC1
InChIInChI=1S/C12H23N3/c1-3-11(2)10-14-12-4-7-15(8-5-12)9-6-13/h11-12,14H,3-5,7-10H2,1-2H3
InChIKeyRYBWTUPAWSPDRJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile

2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile (PubChem CID 115887467) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile
PubChem CID115887467
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile
SMILESCCC(C)CNC1CCN(CC#N)CC1
InChIInChI=1S/C12H23N3/c1-3-11(2)10-14-12-4-7-15(8-5-12)9-6-13/h11-12,14H,3-5,7-10H2,1-2H3
InChIKeyRYBWTUPAWSPDRJ-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
1-ethyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 142317585
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
1-cyclopropyl-N-(2-methylbutyl)piperidin-4-amine
CID 43746988
N-(2-methylbutyl)cyclopentanamine
CID 43200714
2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetonitrile
CID 170381955
4-(2-methylbutylamino)piperidine-1-carboxamide
CID 62692212
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbutanamide
CID 63626076
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile (CID 115887467) is 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile is CCC(C)CNC1CCN(CC#N)CC1.
What is the InChIKey of 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile?
The InChIKey is RYBWTUPAWSPDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-11(2)10-14-12-4-7-15(8-5-12)9-6-13/h11-12,14H,3-5,7-10H2,1-2H3.
What are the key properties of 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile?
2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 115887467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).