N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine

C12H21N3 — CID 102545875

IUPACN-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(NC(C)(C)C)cc1C
InChIInChI=1S/C12H21N3/c1-9-6-11(15-12(2,3)4)14-8-10(9)7-13-5/h6,8,13H,7H2,1-5H3,(H,14,15)
InChIKeyIVNPWLKFAUWQKO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds3

About N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine

N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 102545875) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine
PubChem CID102545875
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(NC(C)(C)C)cc1C
InChIInChI=1S/C12H21N3/c1-9-6-11(15-12(2,3)4)14-8-10(9)7-13-5/h6,8,13H,7H2,1-5H3,(H,14,15)
InChIKeyIVNPWLKFAUWQKO-UHFFFAOYSA-N
XLogP2.32
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine
CID 102545175
(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502181
5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
CID 124502187
N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine
CID 102545259
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate
CID 102545371
N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
CID 154786137
5-(aminomethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545289
5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545284
N-(2,2-dimethylpropyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246388
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine (CID 102545875) is N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine is CNCc1cnc(NC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is IVNPWLKFAUWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-6-11(15-12(2,3)4)14-8-10(9)7-13-5/h6,8,13H,7H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine?
N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 102545875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).