N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine

C12H20N2 — CID 63201754

IUPACN,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine
SMILESCNC(Cc1cc(C)ccn1)C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)12(13-4)8-11-7-10(3)5-6-14-11/h5-7,9,12-13H,8H2,1-4H3
InChIKeyNBFRRLTUKWTIFZ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.18
Rot. Bonds4

About N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine

N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine (PubChem CID 63201754) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine
PubChem CID63201754
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine
SMILESCNC(Cc1cc(C)ccn1)C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)12(13-4)8-11-7-10(3)5-6-14-11/h5-7,9,12-13H,8H2,1-4H3
InChIKeyNBFRRLTUKWTIFZ-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234
N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine
CID 66330877
(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 28923762
N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 16640575
N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine
CID 63205925
N,3-dimethyl-1-pyridazin-3-ylbutan-2-amine
CID 63202272
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
2-(2-chloropentyl)-4-methylpyridine
CID 18799713
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine
CID 63352927

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine?
The IUPAC name of N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine (CID 63201754) is N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine is CNC(Cc1cc(C)ccn1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine?
The InChIKey is NBFRRLTUKWTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)12(13-4)8-11-7-10(3)5-6-14-11/h5-7,9,12-13H,8H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine?
N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 63201754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).