2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine

C16H27N3 — CID 115246344

IUPAC2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
SMILESCNCC1(CNCC(C)(C)c2cccnc2)CCC1
InChIInChI=1S/C16H27N3/c1-15(2,14-6-4-9-18-10-14)11-19-13-16(12-17-3)7-5-8-16/h4,6,9-10,17,19H,5,7-8,11-13H2,1-3H3
InChIKeyLBAZJANAJIBWRP-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.34
Rot. Bonds7

About 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine

2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine (PubChem CID 115246344) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
PubChem CID115246344
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
SMILESCNCC1(CNCC(C)(C)c2cccnc2)CCC1
InChIInChI=1S/C16H27N3/c1-15(2,14-6-4-9-18-10-14)11-19-13-16(12-17-3)7-5-8-16/h4,6,9-10,17,19H,5,7-8,11-13H2,1-3H3
InChIKeyLBAZJANAJIBWRP-UHFFFAOYSA-N
XLogP2.34
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
2-methyl-2-pyridin-3-yl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 115209149
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
methyl 4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoate
CID 115233553
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine (CID 115246344) is 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine is CNCC1(CNCC(C)(C)c2cccnc2)CCC1.
What is the InChIKey of 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine?
The InChIKey is LBAZJANAJIBWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-15(2,14-6-4-9-18-10-14)11-19-13-16(12-17-3)7-5-8-16/h4,6,9-10,17,19H,5,7-8,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine?
2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 115246344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).