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

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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).