5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile

C14H27N3 — CID 55176008

IUPAC5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCC(C)NCC1CCCN(CCCCC#N)C1
InChIInChI=1S/C14H27N3/c1-13(2)16-11-14-7-6-10-17(12-14)9-5-3-4-8-15/h13-14,16H,3-7,9-12H2,1-2H3
InChIKeyDQNCKUJOGOJLGX-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds7

About 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile

5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile (PubChem CID 55176008) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
PubChem CID55176008
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCC(C)NCC1CCCN(CCCCC#N)C1
InChIInChI=1S/C14H27N3/c1-13(2)16-11-14-7-6-10-17(12-14)9-5-3-4-8-15/h13-14,16H,3-7,9-12H2,1-2H3
InChIKeyDQNCKUJOGOJLGX-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63241803
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
1-[2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 63241391
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile (CID 55176008) is 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile is CC(C)NCC1CCCN(CCCCC#N)C1.
What is the InChIKey of 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
The InChIKey is DQNCKUJOGOJLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-13(2)16-11-14-7-6-10-17(12-14)9-5-3-4-8-15/h13-14,16H,3-7,9-12H2,1-2H3.
What are the key properties of 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile?
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 55176008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).