3,5-dimethylpyrrol-3-amine

C6H10N2 — CID 89275332

IUPAC3,5-dimethylpyrrol-3-amine
SMILESCC1=CC(C)(N)C=N1
InChIInChI=1S/C6H10N2/c1-5-3-6(2,7)4-8-5/h3-4H,7H2,1-2H3
InChIKeyHETRWXSFOUQQRW-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds

About 3,5-dimethylpyrrol-3-amine

3,5-dimethylpyrrol-3-amine (PubChem CID 89275332) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,5-dimethylpyrrol-3-amine.

Molecular Properties

Compound Name3,5-dimethylpyrrol-3-amine
PubChem CID89275332
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,5-dimethylpyrrol-3-amine
SMILESCC1=CC(C)(N)C=N1
InChIInChI=1S/C6H10N2/c1-5-3-6(2,7)4-8-5/h3-4H,7H2,1-2H3
InChIKeyHETRWXSFOUQQRW-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
3-Methylazepin-3-amine
CID 123242780
(Z)-3-(ethylideneamino)pent-2-en-1-amine
CID 123746712
(Z)-4-N-methylidenepent-3-ene-1,4-diimine
CID 124020764
2,4-Dimethylazepin-4-amine
CID 126635964
3,5,7-Trimethylazepin-3-amine
CID 139360520
3,7-Dimethylazepin-3-amine
CID 142031464
(Z)-2-methyl-3-(propylideneamino)pent-3-en-2-amine
CID 144448579
CID 145556980
CID 145556980
2,5-Dihydropyridin-4-amine
CID 147632957
2-methyl-2H-pyrrol-4-amine
CID 148532719
methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride
CID 162046716

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyrrol-3-amine?
The IUPAC name of 3,5-dimethylpyrrol-3-amine (CID 89275332) is 3,5-dimethylpyrrol-3-amine.
What is the SMILES notation for 3,5-dimethylpyrrol-3-amine?
The canonical SMILES for 3,5-dimethylpyrrol-3-amine is CC1=CC(C)(N)C=N1.
What is the InChIKey of 3,5-dimethylpyrrol-3-amine?
The InChIKey is HETRWXSFOUQQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-3-6(2,7)4-8-5/h3-4H,7H2,1-2H3.
What are the key properties of 3,5-dimethylpyrrol-3-amine?
3,5-dimethylpyrrol-3-amine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpyrrol-3-amine is sourced from PubChem (CID 89275332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).