N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine

C10H16N2 — CID 174893168

IUPACN-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine
SMILESCc1cccn1CCNC1CC1
InChIInChI=1S/C10H16N2/c1-9-3-2-7-12(9)8-6-11-10-4-5-10/h2-3,7,10-11H,4-6,8H2,1H3
InChIKeyAACPKGVGNOJECI-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine

N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine (PubChem CID 174893168) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine
PubChem CID174893168
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine
SMILESCc1cccn1CCNC1CC1
InChIInChI=1S/C10H16N2/c1-9-3-2-7-12(9)8-6-11-10-4-5-10/h2-3,7,10-11H,4-6,8H2,1H3
InChIKeyAACPKGVGNOJECI-UHFFFAOYSA-N
XLogP1.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one
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1-butyl-2-methylpyrrole
CID 66974034
4-methyl-N-[2-(6-methylindol-1-yl)ethyl]cyclohexan-1-amine
CID 63506793
1-butyl-2-methylpyrrole;hydrobromide
CID 90238176
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione
CID 103430945
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine (CID 174893168) is N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine is Cc1cccn1CCNC1CC1.
What is the InChIKey of N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine?
The InChIKey is AACPKGVGNOJECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9-3-2-7-12(9)8-6-11-10-4-5-10/h2-3,7,10-11H,4-6,8H2,1H3.
What are the key properties of N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine?
N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine has a molecular weight of 164.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrrol-1-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 174893168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).