1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine

C11H16N2 — CID 105436682

IUPAC1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCc1cncc(CCC2(N)CC2)c1
InChIInChI=1S/C11H16N2/c1-9-6-10(8-13-7-9)2-3-11(12)4-5-11/h6-8H,2-5,12H2,1H3
InChIKeyIISQRUMZQJSLQE-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine

1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine (PubChem CID 105436682) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine
PubChem CID105436682
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCc1cncc(CCC2(N)CC2)c1
InChIInChI=1S/C11H16N2/c1-9-6-10(8-13-7-9)2-3-11(12)4-5-11/h6-8H,2-5,12H2,1H3
InChIKeyIISQRUMZQJSLQE-UHFFFAOYSA-N
XLogP1.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
Rivanicline
CID 5310967
3-Ethylpyridine
CID 10823

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine (CID 105436682) is 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine is Cc1cncc(CCC2(N)CC2)c1.
What is the InChIKey of 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine?
The InChIKey is IISQRUMZQJSLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-6-10(8-13-7-9)2-3-11(12)4-5-11/h6-8H,2-5,12H2,1H3.
What are the key properties of 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine?
1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105436682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).