2-(1-methylcyclopropyl)ethanamine

C6H13N — CID 54246209

IUPAC2-(1-methylcyclopropyl)ethanamine
SMILESCC1(CCN)CC1
InChIInChI=1S/C6H13N/c1-6(2-3-6)4-5-7/h2-5,7H2,1H3
InChIKeyQTLHJKSNSNAIIC-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.14
Rot. Bonds2

About 2-(1-methylcyclopropyl)ethanamine

2-(1-methylcyclopropyl)ethanamine (PubChem CID 54246209) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)ethanamine
PubChem CID54246209
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name2-(1-methylcyclopropyl)ethanamine
SMILESCC1(CCN)CC1
InChIInChI=1S/C6H13N/c1-6(2-3-6)4-5-7/h2-5,7H2,1H3
InChIKeyQTLHJKSNSNAIIC-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(1-methylcyclopropyl)ethanamine (CID 54246209) is 2-(1-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(1-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(1-methylcyclopropyl)ethanamine is CC1(CCN)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)ethanamine?
The InChIKey is QTLHJKSNSNAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2-3-6)4-5-7/h2-5,7H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)ethanamine?
2-(1-methylcyclopropyl)ethanamine has a molecular weight of 99.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)ethanamine is sourced from PubChem (CID 54246209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).