3-methyl-3,4-dihydro-2H-pyrrol-4-amine

C5H10N2 — CID 57259265

IUPAC3-methyl-3,4-dihydro-2H-pyrrol-4-amine
SMILESCC1CN=CC1N
InChIInChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h3-5H,2,6H2,1H3
InChIKeyCGIZYXJROKHFKH-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.03
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-pyrrol-4-amine

3-methyl-3,4-dihydro-2H-pyrrol-4-amine (PubChem CID 57259265) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-pyrrol-4-amine.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-pyrrol-4-amine
PubChem CID57259265
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-methyl-3,4-dihydro-2H-pyrrol-4-amine
SMILESCC1CN=CC1N
InChIInChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h3-5H,2,6H2,1H3
InChIKeyCGIZYXJROKHFKH-UHFFFAOYSA-N
XLogP0.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole
CID 59584722
(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol
CID 175988145
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
4-iodo-3-methyl-2,3,4,5-tetrahydropyridine
CID 89271864
4-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydropyridin-5-amine
CID 130280401
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine
CID 174033086
ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 90878321
3-methyl-2,3,4,5-tetrahydropyridin-2-amine
CID 55290204
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
tert-butyl 2,3-dihydroazete-3-carboxylate
CID 168984140
4,5-dimethylcyclohexane-1,2-diol
CID 13429582

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
The IUPAC name of 3-methyl-3,4-dihydro-2H-pyrrol-4-amine (CID 57259265) is 3-methyl-3,4-dihydro-2H-pyrrol-4-amine.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-pyrrol-4-amine is CC1CN=CC1N.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
The InChIKey is CGIZYXJROKHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h3-5H,2,6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
3-methyl-3,4-dihydro-2H-pyrrol-4-amine has a molecular weight of 98.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-pyrrol-4-amine is sourced from PubChem (CID 57259265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).