3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine

C18H25N3 — CID 62294058

IUPAC3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCc1cccc(N(C)c2ncccc2CNC(C)(C)C)c1
InChIInChI=1S/C18H25N3/c1-14-8-6-10-16(12-14)21(5)17-15(9-7-11-19-17)13-20-18(2,3)4/h6-12,20H,13H2,1-5H3
InChIKeyLYHFBRVRYITSOG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.05
Rot. Bonds4

About 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine

3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine (PubChem CID 62294058) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
PubChem CID62294058
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCc1cccc(N(C)c2ncccc2CNC(C)(C)C)c1
InChIInChI=1S/C18H25N3/c1-14-8-6-10-16(12-14)21(5)17-15(9-7-11-19-17)13-20-18(2,3)4/h6-12,20H,13H2,1-5H3
InChIKeyLYHFBRVRYITSOG-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62283984
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline
CID 62436029
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62293883
N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62282701
3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 62282843
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
3-(ethylaminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62288170
[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol
CID 62000367
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine (CID 62294058) is 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine is Cc1cccc(N(C)c2ncccc2CNC(C)(C)C)c1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
The InChIKey is LYHFBRVRYITSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-8-6-10-16(12-14)21(5)17-15(9-7-11-19-17)13-20-18(2,3)4/h6-12,20H,13H2,1-5H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 62294058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).