2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine

C13H22N2 — CID 103527273

IUPAC2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
SMILESCCCn1ccc(CNC2CC2CC)c1
InChIInChI=1S/C13H22N2/c1-3-6-15-7-5-11(10-15)9-14-13-8-12(13)4-2/h5,7,10,12-14H,3-4,6,8-9H2,1-2H3
InChIKeyYADMMRPGAXSZHP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.79
Rot. Bonds6

About 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine

2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine (PubChem CID 103527273) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
PubChem CID103527273
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
SMILESCCCn1ccc(CNC2CC2CC)c1
InChIInChI=1S/C13H22N2/c1-3-6-15-7-5-11(10-15)9-14-13-8-12(13)4-2/h5,7,10,12-14H,3-4,6,8-9H2,1-2H3
InChIKeyYADMMRPGAXSZHP-UHFFFAOYSA-N
XLogP2.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine (CID 103527273) is 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine is CCCn1ccc(CNC2CC2CC)c1.
What is the InChIKey of 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is YADMMRPGAXSZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-6-15-7-5-11(10-15)9-14-13-8-12(13)4-2/h5,7,10,12-14H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine?
2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 103527273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).