N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine

C13H21N3O — CID 114113993

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2ccnc(CN)c2)CCCOC1
InChIInChI=1S/C13H21N3O/c1-13(4-2-6-17-10-13)16-9-11-3-5-15-12(7-11)8-14/h3,5,7,16H,2,4,6,8-10,14H2,1H3
InChIKeyBBJBSHSSTKQZNY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.20
Rot. Bonds4

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine (PubChem CID 114113993) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine
PubChem CID114113993
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2ccnc(CN)c2)CCCOC1
InChIInChI=1S/C13H21N3O/c1-13(4-2-6-17-10-13)16-9-11-3-5-15-12(7-11)8-14/h3,5,7,16H,2,4,6,8-10,14H2,1H3
InChIKeyBBJBSHSSTKQZNY-UHFFFAOYSA-N
XLogP1.20
TPSA60.17 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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
N-[(5-bromo-3-pyridinyl)methyl]-3-methyloxan-3-amine
CID 104857038
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113347998
N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 103527612
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 113354519
N-[[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]methyl]-3-methyloxan-3-amine
CID 166208826
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine
CID 113277940
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine (CID 114113993) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine is CC1(NCc2ccnc(CN)c2)CCCOC1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine?
The InChIKey is BBJBSHSSTKQZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(4-2-6-17-10-13)16-9-11-3-5-15-12(7-11)8-14/h3,5,7,16H,2,4,6,8-10,14H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 114113993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).