[1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine

C16H24N2 — CID 117003430

IUPAC[1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCc1cccc(C(C)C)c1N1CC=C(CN)CC1
InChIInChI=1S/C16H24N2/c1-12(2)15-6-4-5-13(3)16(15)18-9-7-14(11-17)8-10-18/h4-7,12H,8-11,17H2,1-3H3
InChIKeyDMDRAICUTHKSTA-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.21
Rot. Bonds3

About [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine

[1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine (PubChem CID 117003430) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
PubChem CID117003430
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCc1cccc(C(C)C)c1N1CC=C(CN)CC1
InChIInChI=1S/C16H24N2/c1-12(2)15-6-4-5-13(3)16(15)18-9-7-14(11-17)8-10-18/h4-7,12H,8-11,17H2,1-3H3
InChIKeyDMDRAICUTHKSTA-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-2-(2-methyl-6-propan-2-ylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
CID 125052761
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
(2-propan-2-ylphenyl)methanamine
CID 15040708
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117013204
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
CID 117003393
3-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 107112447
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076408
(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076410

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The IUPAC name of [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine (CID 117003430) is [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine.
What is the SMILES notation for [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The canonical SMILES for [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine is Cc1cccc(C(C)C)c1N1CC=C(CN)CC1.
What is the InChIKey of [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The InChIKey is DMDRAICUTHKSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)15-6-4-5-13(3)16(15)18-9-7-14(11-17)8-10-18/h4-7,12H,8-11,17H2,1-3H3.
What are the key properties of [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
[1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-6-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine is sourced from PubChem (CID 117003430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).