3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine

C18H31N3 — CID 62281532

IUPAC3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine
SMILESCc1cc(C)c(CNC(C)(C)C)c(N(C)C(C)C2CC2)n1
InChIInChI=1S/C18H31N3/c1-12-10-13(2)20-17(16(12)11-19-18(4,5)6)21(7)14(3)15-8-9-15/h10,14-15,19H,8-9,11H2,1-7H3
InChIKeySYWZHXWIBMDLCF-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.82
Rot. Bonds5

About 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine

3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine (PubChem CID 62281532) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine
PubChem CID62281532
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine
SMILESCc1cc(C)c(CNC(C)(C)C)c(N(C)C(C)C2CC2)n1
InChIInChI=1S/C18H31N3/c1-12-10-13(2)20-17(16(12)11-19-18(4,5)6)21(7)14(3)15-8-9-15/h10,14-15,19H,8-9,11H2,1-7H3
InChIKeySYWZHXWIBMDLCF-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 62281698
4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
CID 62282920
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,4,6-trimethylpyridin-2-amine
CID 55006873
N-[[2-(cyclopropylmethoxy)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291511
N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine
CID 62280727
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
CID 55112108
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62768327
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
CID 80630561
N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
CID 63487572
N-(1-cyclopropylethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 42949489
N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62289059
N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 115987724

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine (CID 62281532) is 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine is Cc1cc(C)c(CNC(C)(C)C)c(N(C)C(C)C2CC2)n1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine?
The InChIKey is SYWZHXWIBMDLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-12-10-13(2)20-17(16(12)11-19-18(4,5)6)21(7)14(3)15-8-9-15/h10,14-15,19H,8-9,11H2,1-7H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine?
3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.82, 5 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-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine is sourced from PubChem (CID 62281532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).