3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine

C13H21N3 — CID 121393991

IUPAC3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCc1ccc(C(N)C2CC(N(C)C)C2)nc1
InChIInChI=1S/C13H21N3/c1-9-4-5-12(15-8-9)13(14)10-6-11(7-10)16(2)3/h4-5,8,10-11,13H,6-7,14H2,1-3H3
InChIKeySOYNWDXLGZTNDL-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.73
Rot. Bonds3

About 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine

3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 121393991) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID121393991
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCc1ccc(C(N)C2CC(N(C)C)C2)nc1
InChIInChI=1S/C13H21N3/c1-9-4-5-12(15-8-9)13(14)10-6-11(7-10)16(2)3/h4-5,8,10-11,13H,6-7,14H2,1-3H3
InChIKeySOYNWDXLGZTNDL-UHFFFAOYSA-N
XLogP1.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(5-methyl-2-pyridinyl)methanamine;hydrochloride
CID 171338154
(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine
CID 55291646
1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 127263938
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
CID 113398353
2-(1-cyclobutylethyl)-5-methylpyridine
CID 121401029
2-(1-cyclohexylpropan-2-yl)-5-methylpyridine
CID 121401032
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
5-methyl-2-pentan-2-ylpyridine
CID 121401028
4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-amine
CID 63197672
(3aS,6aR)-2-N,2-N,5-N-trimethyl-5-N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine;formic acid
CID 154915543
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine (CID 121393991) is 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine is Cc1ccc(C(N)C2CC(N(C)C)C2)nc1.
What is the InChIKey of 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is SOYNWDXLGZTNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-5-12(15-8-9)13(14)10-6-11(7-10)16(2)3/h4-5,8,10-11,13H,6-7,14H2,1-3H3.
What are the key properties of 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine?
3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 121393991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).