3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline

C12H16N2 — CID 130865447

IUPAC3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline
SMILESCC1=CCCN(c2cccc(N)c2)C1
InChIInChI=1S/C12H16N2/c1-10-4-3-7-14(9-10)12-6-2-5-11(13)8-12/h2,4-6,8H,3,7,9,13H2,1H3
InChIKeySMSXBRUIGNMEPS-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.43
Rot. Bonds1

About 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline

3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline (PubChem CID 130865447) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline.

Molecular Properties

Compound Name3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline
PubChem CID130865447
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline
SMILESCC1=CCCN(c2cccc(N)c2)C1
InChIInChI=1S/C12H16N2/c1-10-4-3-7-14(9-10)12-6-2-5-11(13)8-12/h2,4-6,8H,3,7,9,13H2,1H3
InChIKeySMSXBRUIGNMEPS-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-dihydro-2H-pyridin-1-yl)aniline
CID 130964450
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114172233
1-(3-aminophenyl)pyrrolidin-3-one
CID 115014711
2-chloro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 106315203
2-bromo-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde
CID 106315177
3-(2,5-dimethylpyrrol-1-yl)aniline
CID 648465
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
3-(4-fluoro-4-methylazepan-1-yl)aniline
CID 115033481
3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline
CID 115019869
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
benzene-1,3-diamine
CID 7935
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63015338

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline?
The IUPAC name of 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline (CID 130865447) is 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline.
What is the SMILES notation for 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline?
The canonical SMILES for 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline is CC1=CCCN(c2cccc(N)c2)C1.
What is the InChIKey of 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline?
The InChIKey is SMSXBRUIGNMEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-4-3-7-14(9-10)12-6-2-5-11(13)8-12/h2,4-6,8H,3,7,9,13H2,1H3.
What are the key properties of 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline?
3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline has a molecular weight of 188.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)aniline is sourced from PubChem (CID 130865447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).