3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine

C13H21N3 — CID 112651436

IUPAC3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
SMILESCc1cccnc1CN(C)CC1CC(N)C1
InChIInChI=1S/C13H21N3/c1-10-4-3-5-15-13(10)9-16(2)8-11-6-12(14)7-11/h3-5,11-12H,6-9,14H2,1-2H3
InChIKeyKKODZHSUXQDGGG-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.56
Rot. Bonds4

About 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine

3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine (PubChem CID 112651436) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
PubChem CID112651436
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
SMILESCc1cccnc1CN(C)CC1CC(N)C1
InChIInChI=1S/C13H21N3/c1-10-4-3-5-15-13(10)9-16(2)8-11-6-12(14)7-11/h3-5,11-12H,6-9,14H2,1-2H3
InChIKeyKKODZHSUXQDGGG-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 106915863
2-bromo-3-methoxy-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112651407
N-[(3-aminocyclobutyl)methyl]-3-ethoxy-N-methylpyridin-2-amine
CID 113371381
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine
CID 158615476
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 112650618
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridin-3-amine
CID 105421264

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine (CID 112651436) is 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine is Cc1cccnc1CN(C)CC1CC(N)C1.
What is the InChIKey of 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is KKODZHSUXQDGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-4-3-5-15-13(10)9-16(2)8-11-6-12(14)7-11/h3-5,11-12H,6-9,14H2,1-2H3.
What are the key properties of 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine?
3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 112651436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).