N-methyl-1-(1H-pyrrol-3-yl)methanamine

C6H10N2 — CID 58091207

IUPACN-methyl-1-(1H-pyrrol-3-yl)methanamine
SMILESCNCc1cc[nH]c1
InChIInChI=1S/C6H10N2/c1-7-4-6-2-3-8-5-6/h2-3,5,7-8H,4H2,1H3
InChIKeyYIXUDGZAASWAEI-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.73
Rot. Bonds2

About N-methyl-1-(1H-pyrrol-3-yl)methanamine

N-methyl-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 58091207) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrrol-3-yl)methanamine
PubChem CID58091207
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-methyl-1-(1H-pyrrol-3-yl)methanamine
SMILESCNCc1cc[nH]c1
InChIInChI=1S/C6H10N2/c1-7-4-6-2-3-8-5-6/h2-3,5,7-8H,4H2,1H3
InChIKeyYIXUDGZAASWAEI-UHFFFAOYSA-N
XLogP0.73
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrole
CID 8027
1H-Pyrrole, 3-methyl-
CID 12023
3-ethyl-1H-pyrrole
CID 258383
1H-pyrrole-3-carbonitrile
CID 564206
2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
1H-Pyrrole-3-carboximidamide
CID 176662
3-(1H-pyrrol-1-yl)propan-1-amine
CID 4585582
1,3-dimethyl-1H-pyrrole
CID 10964417
Methyl-(3-pyrrol-1-yl-propyl)amine
CID 15044358
1H-Pyrrole-1,2,3,4,5-d5
CID 16212259
1H-pyrrol-3-ylmethanamine
CID 23295846

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1H-pyrrol-3-yl)methanamine (CID 58091207) is N-methyl-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1H-pyrrol-3-yl)methanamine is CNCc1cc[nH]c1.
What is the InChIKey of N-methyl-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is YIXUDGZAASWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-7-4-6-2-3-8-5-6/h2-3,5,7-8H,4H2,1H3.
What are the key properties of N-methyl-1-(1H-pyrrol-3-yl)methanamine?
N-methyl-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 110.16 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 58091207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).