1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine

C10H16N2 — CID 115686102

IUPAC1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCC1CC1CNCc1cc[nH]c1
InChIInChI=1S/C10H16N2/c1-8-4-10(8)7-12-6-9-2-3-11-5-9/h2-3,5,8,10-12H,4,6-7H2,1H3
InChIKeyUBJUPBFMHDRQIY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds4

About 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine

1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine (PubChem CID 115686102) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
PubChem CID115686102
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCC1CC1CNCc1cc[nH]c1
InChIInChI=1S/C10H16N2/c1-8-4-10(8)7-12-6-9-2-3-11-5-9/h2-3,5,8,10-12H,4,6-7H2,1H3
InChIKeyUBJUPBFMHDRQIY-UHFFFAOYSA-N
XLogP1.76
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 66409208
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115686124
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408267
1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408972
N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594125
2-methyl-1-(1H-pyrrol-3-ylmethylamino)propan-2-ol
CID 66409643
1,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-amine
CID 130692968
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine (CID 115686102) is 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine is CC1CC1CNCc1cc[nH]c1.
What is the InChIKey of 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The InChIKey is UBJUPBFMHDRQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-4-10(8)7-12-6-9-2-3-11-5-9/h2-3,5,8,10-12H,4,6-7H2,1H3.
What are the key properties of 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine has a molecular weight of 164.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine is sourced from PubChem (CID 115686102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).