(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine

C7H12N2 — CID 58427185

IUPAC(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
SMILESCN[C@@H](C)C1=NC=CC1
InChIInChI=1S/C7H12N2/c1-6(8-2)7-4-3-5-9-7/h3,5-6,8H,4H2,1-2H3/t6-/m0/s1
InChIKeyJRWFEPDMHYQKAE-LURJTMIESA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds2

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

(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine (PubChem CID 58427185) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
PubChem CID58427185
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
SMILESCN[C@@H](C)C1=NC=CC1
InChIInChI=1S/C7H12N2/c1-6(8-2)7-4-3-5-9-7/h3,5-6,8H,4H2,1-2H3/t6-/m0/s1
InChIKeyJRWFEPDMHYQKAE-LURJTMIESA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3H-pyrrol-2-yl)methanamine
CID 58168955
3-(3H-pyrrol-2-yl)propan-1-amine
CID 58381456
CID 58427153
CID 58427153
(1R)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427201
5-Methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole
CID 59936373
2-methyl-3H-pyrrol-3-amine
CID 67580042
(1R)-1-(3H-pyrrol-2-yl)ethanamine
CID 123818544
N-(3H-pyrrol-2-ylmethyl)but-3-en-1-amine
CID 130382602
3-Ethenyl-2-methyl-1,2-dihydropyrazine
CID 142290903
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
N-methyl-3-[(Z)-prop-1-enyl]iminopent-4-en-1-amine
CID 143115331
ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine
CID 143265925

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine?
The IUPAC name of (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine (CID 58427185) is (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine is CN[C@@H](C)C1=NC=CC1.
What is the InChIKey of (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine?
The InChIKey is JRWFEPDMHYQKAE-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2/c1-6(8-2)7-4-3-5-9-7/h3,5-6,8H,4H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine?
(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 58427185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).