N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine

C19H26N2 — CID 131974262

IUPACN-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine
SMILESCC(C)(C)CCc1cccc(CNCc2ccccc2)n1
InChIInChI=1S/C19H26N2/c1-19(2,3)13-12-17-10-7-11-18(21-17)15-20-14-16-8-5-4-6-9-16/h4-11,20H,12-15H2,1-3H3
InChIKeySXNQMTPGZKWNEY-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.35
Rot. Bonds6

About N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine

N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 131974262) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine
PubChem CID131974262
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine
SMILESCC(C)(C)CCc1cccc(CNCc2ccccc2)n1
InChIInChI=1S/C19H26N2/c1-19(2,3)13-12-17-10-7-11-18(21-17)15-20-14-16-8-5-4-6-9-16/h4-11,20H,12-15H2,1-3H3
InChIKeySXNQMTPGZKWNEY-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
[6-[(benzylamino)methyl]-2-pyridinyl]methyl-ditert-butylphosphanium;chloro(hydrido)ruthenium(2+);methanone
CID 140812818
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
CID 46785098
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine (CID 131974262) is N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine is CC(C)(C)CCc1cccc(CNCc2ccccc2)n1.
What is the InChIKey of N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine?
The InChIKey is SXNQMTPGZKWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-19(2,3)13-12-17-10-7-11-18(21-17)15-20-14-16-8-5-4-6-9-16/h4-11,20H,12-15H2,1-3H3.
What are the key properties of N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine?
N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3-dimethylbutyl)-2-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 131974262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).