2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine

C12H19N3 — CID 80999490

IUPAC2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
SMILESCN(Cc1ccccn1)C1CCC1CN
InChIInChI=1S/C12H19N3/c1-15(12-6-5-10(12)8-13)9-11-4-2-3-7-14-11/h2-4,7,10,12H,5-6,8-9,13H2,1H3
InChIKeyCIJWTXPKQJBDAM-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.25
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine

2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine (PubChem CID 80999490) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
PubChem CID80999490
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
SMILESCN(Cc1ccccn1)C1CCC1CN
InChIInChI=1S/C12H19N3/c1-15(12-6-5-10(12)8-13)9-11-4-2-3-7-14-11/h2-4,7,10,12H,5-6,8-9,13H2,1H3
InChIKeyCIJWTXPKQJBDAM-UHFFFAOYSA-N
XLogP1.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine
CID 80996130
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62434127
N-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 134793852
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine (CID 80999490) is 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine is CN(Cc1ccccn1)C1CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is CIJWTXPKQJBDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(12-6-5-10(12)8-13)9-11-4-2-3-7-14-11/h2-4,7,10,12H,5-6,8-9,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine?
2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 205.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 80999490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).