1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine

C11H18N2 — CID 105437764

IUPAC1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine
SMILESCc1cc(CCC2(N)CC2)cn1C
InChIInChI=1S/C11H18N2/c1-9-7-10(8-13(9)2)3-4-11(12)5-6-11/h7-8H,3-6,12H2,1-2H3
InChIKeyNIZVTORPURCHKS-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.76
Rot. Bonds3

About 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine

1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine (PubChem CID 105437764) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine
PubChem CID105437764
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine
SMILESCc1cc(CCC2(N)CC2)cn1C
InChIInChI=1S/C11H18N2/c1-9-7-10(8-13(9)2)3-4-11(12)5-6-11/h7-8H,3-6,12H2,1-2H3
InChIKeyNIZVTORPURCHKS-UHFFFAOYSA-N
XLogP1.76
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine
CID 84656686
1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine
CID 105436682
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105438423
1-[2-(5-ethylthiophen-3-yl)ethyl]cyclopropan-1-amine
CID 105449555
1-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]cyclopropan-1-amine
CID 105470358
5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol
CID 105463041
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
1-[2-(2-ethyl-1-methylimidazol-4-yl)ethyl]cyclopropan-1-amine
CID 105447644
1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
CID 83908581
1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine
CID 105470224
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine (CID 105437764) is 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine is Cc1cc(CCC2(N)CC2)cn1C.
What is the InChIKey of 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine?
The InChIKey is NIZVTORPURCHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-10(8-13(9)2)3-4-11(12)5-6-11/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine?
1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,5-dimethylpyrrol-3-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105437764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).