N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C20H36N2 — CID 131982469

IUPACN-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(CC(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C20H36N2/c1-18(2,3)17(19(4,5)6)13-15-11-10-12-16(22-15)14-21-20(7,8)9/h10-12,17,21H,13-14H2,1-9H3
InChIKeyLGLDUCCTMYWYAH-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.22
Rot. Bonds4

About N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 131982469) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID131982469
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC NameN-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(CC(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C20H36N2/c1-18(2,3)17(19(4,5)6)13-15-11-10-12-16(22-15)14-21-20(7,8)9/h10-12,17,21H,13-14H2,1-9H3
InChIKeyLGLDUCCTMYWYAH-UHFFFAOYSA-N
XLogP5.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine
CID 106906400
N-[[6-(butan-2-yloxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908055
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 106906368
N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905667
6-[(tert-butylamino)methyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 62278708
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907868
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62291181
2-methyl-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine
CID 155164272
N-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088
N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905994

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 131982469) is N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(CC(C(C)(C)C)C(C)(C)C)n1.
What is the InChIKey of N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LGLDUCCTMYWYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-18(2,3)17(19(4,5)6)13-15-11-10-12-16(22-15)14-21-20(7,8)9/h10-12,17,21H,13-14H2,1-9H3.
What are the key properties of N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 304.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 131982469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).