6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile

C17H31N3 — CID 106714588

IUPAC6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN1CCCCC1CNC1CC1
InChIInChI=1S/C17H31N3/c1-17(2,14-18)10-4-6-12-20-11-5-3-7-16(20)13-19-15-8-9-15/h15-16,19H,3-13H2,1-2H3
InChIKeyCBUUAHCCDGFMPC-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.31
Rot. Bonds8

About 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile

6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile (PubChem CID 106714588) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
PubChem CID106714588
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN1CCCCC1CNC1CC1
InChIInChI=1S/C17H31N3/c1-17(2,14-18)10-4-6-12-20-11-5-3-7-16(20)13-19-15-8-9-15/h15-16,19H,3-13H2,1-2H3
InChIKeyCBUUAHCCDGFMPC-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62581263
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849232
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 80695736
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile (CID 106714588) is 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCN1CCCCC1CNC1CC1.
What is the InChIKey of 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
The InChIKey is CBUUAHCCDGFMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-17(2,14-18)10-4-6-12-20-11-5-3-7-16(20)13-19-15-8-9-15/h15-16,19H,3-13H2,1-2H3.
What are the key properties of 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106714588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).