3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

C13H21N3O — CID 80636101

IUPAC3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(CN)cnc1N(C)CC1CC(O)C1
InChIInChI=1S/C13H21N3O/c1-9-3-11(6-14)7-15-13(9)16(2)8-10-4-12(17)5-10/h3,7,10,12,17H,4-6,8,14H2,1-2H3
InChIKeyONORLPXNIJIGKG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.06
Rot. Bonds4

About 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80636101) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
PubChem CID80636101
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(CN)cnc1N(C)CC1CC(O)C1
InChIInChI=1S/C13H21N3O/c1-9-3-11(6-14)7-15-13(9)16(2)8-10-4-12(17)5-10/h3,7,10,12,17H,4-6,8,14H2,1-2H3
InChIKeyONORLPXNIJIGKG-UHFFFAOYSA-N
XLogP1.06
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80636310
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80636014
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685
5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80634857
5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634568
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
CID 80630561
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
5-(aminomethyl)-N,3-dimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 80636098
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630348
5-(aminomethyl)-N,3-dimethyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 80630342
5-(aminomethyl)-N-cyclopentyl-N-ethyl-3-methylpyridin-2-amine
CID 80629924

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (CID 80636101) is 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is Cc1cc(CN)cnc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is ONORLPXNIJIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-3-11(6-14)7-15-13(9)16(2)8-10-4-12(17)5-10/h3,7,10,12,17H,4-6,8,14H2,1-2H3.
What are the key properties of 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80636101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).