2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile

C16H29N3O — CID 106588537

IUPAC2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
SMILESCOCC1CCCN(CCCC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C16H29N3O/c1-16(13-17,18-15-6-7-15)8-4-10-19-9-3-5-14(11-19)12-20-2/h14-15,18H,3-12H2,1-2H3
InChIKeyOKHFPGAYTXUIAF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.16
Rot. Bonds8

About 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile

2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile (PubChem CID 106588537) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
PubChem CID106588537
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
SMILESCOCC1CCCN(CCCC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C16H29N3O/c1-16(13-17,18-15-6-7-15)8-4-10-19-9-3-5-14(11-19)12-20-2/h14-15,18H,3-12H2,1-2H3
InChIKeyOKHFPGAYTXUIAF-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile
CID 103537857
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
CID 103537820
2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
CID 106804088
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701
3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 106588528
2-(cyclopropylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-ol
CID 64809590
2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 63973536
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile (CID 106588537) is 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile is COCC1CCCN(CCCC(C)(C#N)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
The InChIKey is OKHFPGAYTXUIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-16(13-17,18-15-6-7-15)8-4-10-19-9-3-5-14(11-19)12-20-2/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile has a molecular weight of 279.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile is sourced from PubChem (CID 106588537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).