N-methyl-1-(3H-pyrrol-2-yl)methanamine

C6H10N2 — CID 58168955

IUPACN-methyl-1-(3H-pyrrol-2-yl)methanamine
SMILESCNCC1=NC=CC1
InChIInChI=1S/C6H10N2/c1-7-5-6-3-2-4-8-6/h2,4,7H,3,5H2,1H3
InChIKeyDBIJPSANQLBQTM-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.56
Rot. Bonds2

About N-methyl-1-(3H-pyrrol-2-yl)methanamine

N-methyl-1-(3H-pyrrol-2-yl)methanamine (PubChem CID 58168955) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-methyl-1-(3H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3H-pyrrol-2-yl)methanamine
PubChem CID58168955
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-methyl-1-(3H-pyrrol-2-yl)methanamine
SMILESCNCC1=NC=CC1
InChIInChI=1S/C6H10N2/c1-7-5-6-3-2-4-8-6/h2,4,7H,3,5H2,1H3
InChIKeyDBIJPSANQLBQTM-UHFFFAOYSA-N
XLogP0.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2,4-dihydropyridin-3-imine
CID 57245082
3H-pyrrol-2-ylmethanamine
CID 58305156
CID 58427153
CID 58427153
(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427185
(1R)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427201
N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine
CID 58760431
(1R)-1-(3H-pyrrol-2-yl)ethanamine
CID 123818544
N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
CID 126762207
N-methyl-2-[(Z)-prop-1-enyl]iminopropan-1-amine
CID 129033942
N-(3H-pyrrol-2-ylmethyl)but-3-en-1-amine
CID 130382602
2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine
CID 137176679
3-Ethenyl-2-methyl-1,2-dihydropyrazine
CID 142290903

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3H-pyrrol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3H-pyrrol-2-yl)methanamine (CID 58168955) is N-methyl-1-(3H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3H-pyrrol-2-yl)methanamine is CNCC1=NC=CC1.
What is the InChIKey of N-methyl-1-(3H-pyrrol-2-yl)methanamine?
The InChIKey is DBIJPSANQLBQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-7-5-6-3-2-4-8-6/h2,4,7H,3,5H2,1H3.
What are the key properties of N-methyl-1-(3H-pyrrol-2-yl)methanamine?
N-methyl-1-(3H-pyrrol-2-yl)methanamine has a molecular weight of 110.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 58168955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).