3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine

C13H22N2 — CID 115710700

IUPAC3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
SMILESCc1cccc(CNC(C)C(C)(C)C)n1
InChIInChI=1S/C13H22N2/c1-10-7-6-8-12(15-10)9-14-11(2)13(3,4)5/h6-8,11,14H,9H2,1-5H3
InChIKeySRHXSAOQSVCECV-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.91
Rot. Bonds3

About 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine

3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine (PubChem CID 115710700) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
PubChem CID115710700
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
SMILESCc1cccc(CNC(C)C(C)(C)C)n1
InChIInChI=1S/C13H22N2/c1-10-7-6-8-12(15-10)9-14-11(2)13(3,4)5/h6-8,11,14H,9H2,1-5H3
InChIKeySRHXSAOQSVCECV-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenylpentan-2-amine
CID 62323185
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
CID 82939144
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
1-methoxy-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 75382852
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 101068607
(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine
CID 82714626
1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79261330

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine (CID 115710700) is 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine is Cc1cccc(CNC(C)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
The InChIKey is SRHXSAOQSVCECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-7-6-8-12(15-10)9-14-11(2)13(3,4)5/h6-8,11,14H,9H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 115710700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).