3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile

C14H27N3 — CID 63241803

IUPAC3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C14H27N3/c1-4-14(7-8-15)17-9-5-6-13(11-17)10-16-12(2)3/h12-14,16H,4-7,9-11H2,1-3H3
InChIKeyYSVASAZEBPBQGF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds6

About 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile

3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile (PubChem CID 63241803) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
PubChem CID63241803
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C14H27N3/c1-4-14(7-8-15)17-9-5-6-13(11-17)10-16-12(2)3/h12-14,16H,4-7,9-11H2,1-3H3
InChIKeyYSVASAZEBPBQGF-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanenitrile
CID 79938597
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618
N-[(1-heptan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 80558125
3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
CID 103976557
3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 115312813
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
CID 79413637
N-[[1-(1-cyclohexylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62523661
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile (CID 63241803) is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile is CCC(CC#N)N1CCCC(CNC(C)C)C1.
What is the InChIKey of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The InChIKey is YSVASAZEBPBQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-14(7-8-15)17-9-5-6-13(11-17)10-16-12(2)3/h12-14,16H,4-7,9-11H2,1-3H3.
What are the key properties of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 63241803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).