2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile

C16H31N3 — CID 65255387

IUPAC2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCC(C)NCC1CCN(CCCC(C)(C)C#N)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-12-15-6-10-19(11-7-15)9-5-8-16(3,4)13-17/h14-15,18H,5-12H2,1-4H3
InChIKeyQZVZPLTUSFQDBC-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.03
Rot. Bonds7

About 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile

2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile (PubChem CID 65255387) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
PubChem CID65255387
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCC(C)NCC1CCN(CCCC(C)(C)C#N)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-12-15-6-10-19(11-7-15)9-5-8-16(3,4)13-17/h14-15,18H,5-12H2,1-4H3
InChIKeyQZVZPLTUSFQDBC-UHFFFAOYSA-N
XLogP3.03
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2,2-dimethyl-4-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butanenitrile
CID 65251983
6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
CID 106714578
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 103410145
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile (CID 65255387) is 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile is CC(C)NCC1CCN(CCCC(C)(C)C#N)CC1.
What is the InChIKey of 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The InChIKey is QZVZPLTUSFQDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)18-12-15-6-10-19(11-7-15)9-5-8-16(3,4)13-17/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 65255387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).