1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine

C13H22N2 — CID 115868047

IUPAC1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2ccn(C)c2)CC1
InChIInChI=1S/C13H22N2/c1-3-5-13(6-7-13)11-14-9-12-4-8-15(2)10-12/h4,8,10,14H,3,5-7,9,11H2,1-2H3
InChIKeyNCUARYZOFZDQCG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.69
Rot. Bonds6

About 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine

1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine (PubChem CID 115868047) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
PubChem CID115868047
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2ccn(C)c2)CC1
InChIInChI=1S/C13H22N2/c1-3-5-13(6-7-13)11-14-9-12-4-8-15(2)10-12/h4,8,10,14H,3,5-7,9,11H2,1-2H3
InChIKeyNCUARYZOFZDQCG-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288
[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965890
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 104624930
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677
N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831
N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
CID 115677495
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine (CID 115868047) is 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine is CCCC1(CNCc2ccn(C)c2)CC1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The InChIKey is NCUARYZOFZDQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-13(6-7-13)11-14-9-12-4-8-15(2)10-12/h4,8,10,14H,3,5-7,9,11H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine has a molecular weight of 206.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 115868047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).