1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine

C11H18N2 — CID 105437765

IUPAC1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine
SMILESCc1cc(C)c(CCC2(N)CC2)[nH]1
InChIInChI=1S/C11H18N2/c1-8-7-9(2)13-10(8)3-4-11(12)5-6-11/h7,13H,3-6,12H2,1-2H3
InChIKeyVZKVJCWGSHRVNW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine

1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine (PubChem CID 105437765) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine
PubChem CID105437765
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine
SMILESCc1cc(C)c(CCC2(N)CC2)[nH]1
InChIInChI=1S/C11H18N2/c1-8-7-9(2)13-10(8)3-4-11(12)5-6-11/h7,13H,3-6,12H2,1-2H3
InChIKeyVZKVJCWGSHRVNW-UHFFFAOYSA-N
XLogP2.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]cyclopropan-1-amine
CID 105432835
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
1-[2-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)ethyl]cyclopropan-1-amine
CID 105456656
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864210
1-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclopropan-1-amine
CID 105433076
1-[2-(3-methylfuran-2-yl)ethyl]cyclopropan-1-amine
CID 105432794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine (CID 105437765) is 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine is Cc1cc(C)c(CCC2(N)CC2)[nH]1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine?
The InChIKey is VZKVJCWGSHRVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-7-9(2)13-10(8)3-4-11(12)5-6-11/h7,13H,3-6,12H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine?
1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105437765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).