5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine

C9H16N2 — CID 123795242

IUPAC5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine
SMILESCC1(C2=CCC(N)NC2)CC1
InChIInChI=1S/C9H16N2/c1-9(4-5-9)7-2-3-8(10)11-6-7/h2,8,11H,3-6,10H2,1H3
InChIKeyUNYFXSILMQYIJN-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.99
Rot. Bonds1

About 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine

5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine (PubChem CID 123795242) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine
PubChem CID123795242
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine
SMILESCC1(C2=CCC(N)NC2)CC1
InChIInChI=1S/C9H16N2/c1-9(4-5-9)7-2-3-8(10)11-6-7/h2,8,11H,3-6,10H2,1H3
InChIKeyUNYFXSILMQYIJN-UHFFFAOYSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.99
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-(1-Methylcyclopropyl)-1,2,3,6-tetrahydropyridine
CID 68077918
5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine
CID 123905526
4-(2-Methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
CID 139546582
(3E)-3-(2-ethyl-2-methylbutylidene)piperidine
CID 146324404
5-(2-Methylpentan-2-yl)-1,2,3,6-tetrahydropyridine
CID 154952865
5-(2-Methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
CID 155280362
3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole
CID 169077732
5-(2,2-Dimethylpropyl)-1,2,3,6-tetrahydropyridine
CID 169669433
N-ethyl-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-amine
CID 80465205
3-methyl-1-(1-methylcyclopropyl)-N-propylbut-2-en-1-amine
CID 80465253
2-Methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
CID 105430187
2-[1-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]ethanamine
CID 113588651

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine?
The IUPAC name of 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine (CID 123795242) is 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine.
What is the SMILES notation for 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine?
The canonical SMILES for 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine is CC1(C2=CCC(N)NC2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine?
The InChIKey is UNYFXSILMQYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(4-5-9)7-2-3-8(10)11-6-7/h2,8,11H,3-6,10H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine?
5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine has a molecular weight of 152.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine is sourced from PubChem (CID 123795242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).