5-methylidenepiperidin-2-amine

C6H12N2 — CID 91253604

IUPAC5-methylidenepiperidin-2-amine
SMILESC=C1CCC(N)NC1
InChIInChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h6,8H,1-4,7H2
InChIKeyIETDINGPIHBSDO-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.21
Rot. Bonds

About 5-methylidenepiperidin-2-amine

5-methylidenepiperidin-2-amine (PubChem CID 91253604) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5-methylidenepiperidin-2-amine.

Molecular Properties

Compound Name5-methylidenepiperidin-2-amine
PubChem CID91253604
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5-methylidenepiperidin-2-amine
SMILESC=C1CCC(N)NC1
InChIInChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h6,8H,1-4,7H2
InChIKeyIETDINGPIHBSDO-UHFFFAOYSA-N
XLogP0.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylenepiperidine
CID 5314658
2-Fluoro-3-methylidenepiperidine
CID 90706861
3-Fluoro-5-methylidenepiperidine
CID 91005006
4-Fluoro-3-methylidenepiperidine
CID 91085263
2-Fluoro-5-methylidenepiperidine
CID 91148357
3-Methylene-piperidine
CID 10796703
3,4-Dimethylidenepiperidine
CID 21412354
3-Methylidenepiperidine hydrochloride
CID 50988050
4-Methylidenepiperidin-1-ium
CID 51666205
3,5-Dimethylidenepiperidine
CID 57187742
N-methyl-4-methylidenepiperidin-2-amine
CID 59241992
1-Methanidyl-3-methylidenepiperidin-1-ium
CID 59347527

Frequently Asked Questions

What is the IUPAC name of 5-methylidenepiperidin-2-amine?
The IUPAC name of 5-methylidenepiperidin-2-amine (CID 91253604) is 5-methylidenepiperidin-2-amine.
What is the SMILES notation for 5-methylidenepiperidin-2-amine?
The canonical SMILES for 5-methylidenepiperidin-2-amine is C=C1CCC(N)NC1.
What is the InChIKey of 5-methylidenepiperidin-2-amine?
The InChIKey is IETDINGPIHBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-2-3-6(7)8-4-5/h6,8H,1-4,7H2.
What are the key properties of 5-methylidenepiperidin-2-amine?
5-methylidenepiperidin-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenepiperidin-2-amine is sourced from PubChem (CID 91253604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).