3-amino-2-methylpiperidine-3-carbonitrile

C7H13N3 — CID 131218847

IUPAC3-amino-2-methylpiperidine-3-carbonitrile
SMILESCC1NCCCC1(N)C#N
InChIInChI=1S/C7H13N3/c1-6-7(9,5-8)3-2-4-10-6/h6,10H,2-4,9H2,1H3
InChIKeyNPDDYIZKTIPOGD-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.02
Rot. Bonds

About 3-amino-2-methylpiperidine-3-carbonitrile

3-amino-2-methylpiperidine-3-carbonitrile (PubChem CID 131218847) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-amino-2-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name3-amino-2-methylpiperidine-3-carbonitrile
PubChem CID131218847
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-amino-2-methylpiperidine-3-carbonitrile
SMILESCC1NCCCC1(N)C#N
InChIInChI=1S/C7H13N3/c1-6-7(9,5-8)3-2-4-10-6/h6,10H,2-4,9H2,1H3
InChIKeyNPDDYIZKTIPOGD-UHFFFAOYSA-N
XLogP-0.02
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminopiperidine-3-carbonitrile
CID 79303333
2,3-dimethylthiomorpholin-2-amine
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(2R)-3,3-difluoropiperidine-2-carbonitrile
CID 134210252
3-(1-aminobutan-2-yl)-2-methylpiperidin-3-ol
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2-methylpyrrolidin-2-amine
CID 22046316
trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile
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(5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 97305435
2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile
CID 130542530
1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile
CID 79572666
(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 176835290
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CID 11768533

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylpiperidine-3-carbonitrile?
The IUPAC name of 3-amino-2-methylpiperidine-3-carbonitrile (CID 131218847) is 3-amino-2-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 3-amino-2-methylpiperidine-3-carbonitrile?
The canonical SMILES for 3-amino-2-methylpiperidine-3-carbonitrile is CC1NCCCC1(N)C#N.
What is the InChIKey of 3-amino-2-methylpiperidine-3-carbonitrile?
The InChIKey is NPDDYIZKTIPOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-7(9,5-8)3-2-4-10-6/h6,10H,2-4,9H2,1H3.
What are the key properties of 3-amino-2-methylpiperidine-3-carbonitrile?
3-amino-2-methylpiperidine-3-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 131218847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).