N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine

C14H23N3O — CID 62390958

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
SMILESCN(Cc1ccccn1)CC1(CN)CCOCC1
InChIInChI=1S/C14H23N3O/c1-17(10-13-4-2-3-7-16-13)12-14(11-15)5-8-18-9-6-14/h2-4,7H,5-6,8-12,15H2,1H3
InChIKeyRKZNOLAVXHNUBQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.27
Rot. Bonds5

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine (PubChem CID 62390958) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
PubChem CID62390958
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
SMILESCN(Cc1ccccn1)CC1(CN)CCOCC1
InChIInChI=1S/C14H23N3O/c1-17(10-13-4-2-3-7-16-13)12-14(11-15)5-8-18-9-6-14/h2-4,7H,5-6,8-12,15H2,1H3
InChIKeyRKZNOLAVXHNUBQ-UHFFFAOYSA-N
XLogP1.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 104678721
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62392008
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-pyridin-2-ylmethanamine
CID 115246245
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 43565091
N-[[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexyl]methyl]ethanamine
CID 62257869
4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913060
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
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
3-methyl-1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64554250
N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 55167085

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine (CID 62390958) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine is CN(Cc1ccccn1)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine?
The InChIKey is RKZNOLAVXHNUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(10-13-4-2-3-7-16-13)12-14(11-15)5-8-18-9-6-14/h2-4,7H,5-6,8-12,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 62390958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).