N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine

C21H31N3 — CID 113379293

IUPACN-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(CNC(C)(C)C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H31N3/c1-16(2)24(15-18-10-8-7-9-11-18)20-13-19(12-17(3)23-20)14-22-21(4,5)6/h7-13,16,22H,14-15H2,1-6H3
InChIKeyCCSREWQRLULYPN-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.69
Rot. Bonds6

About N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine

N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 113379293) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID113379293
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC NameN-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(CNC(C)(C)C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H31N3/c1-16(2)24(15-18-10-8-7-9-11-18)20-13-19(12-17(3)23-20)14-22-21(4,5)6/h7-13,16,22H,14-15H2,1-6H3
InChIKeyCCSREWQRLULYPN-UHFFFAOYSA-N
XLogP4.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919288
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112914008
4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872608
4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908
4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925035
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112921209
N-benzyl-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidin-4-amine
CID 112912293
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine (CID 113379293) is N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine is Cc1cc(CNC(C)(C)C)cc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is CCSREWQRLULYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-16(2)24(15-18-10-8-7-9-11-18)20-13-19(12-17(3)23-20)14-22-21(4,5)6/h7-13,16,22H,14-15H2,1-6H3.
What are the key properties of N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine?
N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 325.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 113379293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).