4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile

C10H17N3 — CID 28702853

IUPAC4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NC2CC2)CC1
InChIInChI=1S/C10H17N3/c1-13-6-4-10(8-11,5-7-13)12-9-2-3-9/h9,12H,2-7H2,1H3
InChIKeyDWKTVDIRDAZAII-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.73
Rot. Bonds2

About 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile

4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile (PubChem CID 28702853) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
PubChem CID28702853
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NC2CC2)CC1
InChIInChI=1S/C10H17N3/c1-13-6-4-10(8-11,5-7-13)12-9-2-3-9/h9,12H,2-7H2,1H3
InChIKeyDWKTVDIRDAZAII-UHFFFAOYSA-N
XLogP0.73
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 144962935
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 155472384
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639453
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 112682393
1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
CID 167501163
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
3-(cyclopropylamino)azetidine-3-carbonitrile
CID 79308446
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79638318
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile (CID 28702853) is 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile is CN1CCC(C#N)(NC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile?
The InChIKey is DWKTVDIRDAZAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-6-4-10(8-11,5-7-13)12-9-2-3-9/h9,12H,2-7H2,1H3.
What are the key properties of 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile?
4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 28702853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).