N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine

C12H19N3O — CID 106298028

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1(CN)CCOCC1
InChIInChI=1S/C12H19N3O/c1-10-3-2-6-14-11(10)15-12(9-13)4-7-16-8-5-12/h2-3,6H,4-5,7-9,13H2,1H3,(H,14,15)
InChIKeyFZFVZLAUGOQHEI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.31
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine

N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine (PubChem CID 106298028) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
PubChem CID106298028
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1(CN)CCOCC1
InChIInChI=1S/C12H19N3O/c1-10-3-2-6-14-11(10)15-12(9-13)4-7-16-8-5-12/h2-3,6H,4-5,7-9,13H2,1H3,(H,14,15)
InChIKeyFZFVZLAUGOQHEI-UHFFFAOYSA-N
XLogP1.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine
CID 106298365
N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine
CID 106298338
N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine
CID 65029490
[3-(3-methyl-2-pyridinyl)oxolan-3-yl]methanamine
CID 130544814
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 106298397
N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine
CID 106298229
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
CID 65028763
N-[1-(aminomethyl)cyclohexyl]-3-methylpyrazin-2-amine
CID 83064303
N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine
CID 106298394

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine (CID 106298028) is N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine is Cc1cccnc1NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine?
The InChIKey is FZFVZLAUGOQHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-3-2-6-14-11(10)15-12(9-13)4-7-16-8-5-12/h2-3,6H,4-5,7-9,13H2,1H3,(H,14,15).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine?
N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 106298028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).