4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine

C11H17N3O — CID 115025286

IUPAC4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
SMILESNCc1ccnc(NC2CCCOC2)c1
InChIInChI=1S/C11H17N3O/c12-7-9-3-4-13-11(6-9)14-10-2-1-5-15-8-10/h3-4,6,10H,1-2,5,7-8,12H2,(H,13,14)
InChIKeyGXISYHPMEXFWKL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.13
Rot. Bonds3

About 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine

4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine (PubChem CID 115025286) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
PubChem CID115025286
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
SMILESNCc1ccnc(NC2CCCOC2)c1
InChIInChI=1S/C11H17N3O/c12-7-9-3-4-13-11(6-9)14-10-2-1-5-15-8-10/h3-4,6,10H,1-2,5,7-8,12H2,(H,13,14)
InChIKeyGXISYHPMEXFWKL-UHFFFAOYSA-N
XLogP1.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine
CID 115777746
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
4-nitro-N-(oxan-3-yl)pyridin-2-amine
CID 63363722
N-[(3S)-oxan-3-yl]pyrazin-2-amine
CID 130628778
2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 129001291
2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 128993039
2-methyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
CID 136956674
[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine
CID 62996477
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine (CID 115025286) is 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine is NCc1ccnc(NC2CCCOC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine?
The InChIKey is GXISYHPMEXFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-7-9-3-4-13-11(6-9)14-10-2-1-5-15-8-10/h3-4,6,10H,1-2,5,7-8,12H2,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine?
4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine is sourced from PubChem (CID 115025286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).