(S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine

C10H16N2O — CID 130967183

IUPAC(S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine
SMILESN[C@H](c1ccc[nH]1)C1CCOCC1
InChIInChI=1S/C10H16N2O/c11-10(9-2-1-5-12-9)8-3-6-13-7-4-8/h1-2,5,8,10,12H,3-4,6-7,11H2/t10-/m0/s1
InChIKeyYADFKOXYLLAWRW-JTQLQIEISA-N
MW180.25 g/mol
LogP1.44
Rot. Bonds2

About (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine

(S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine (PubChem CID 130967183) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound Name(S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine
PubChem CID130967183
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine
SMILESN[C@H](c1ccc[nH]1)C1CCOCC1
InChIInChI=1S/C10H16N2O/c11-10(9-2-1-5-12-9)8-3-6-13-7-4-8/h1-2,5,8,10,12H,3-4,6-7,11H2/t10-/m0/s1
InChIKeyYADFKOXYLLAWRW-JTQLQIEISA-N
XLogP1.44
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl(1H-pyrrol-2-yl)methanamine
CID 130674193
morpholin-2-yl(1H-pyrrol-2-yl)methanamine
CID 116941017
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride
CID 171248195
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
CID 131503127

Frequently Asked Questions

What is the IUPAC name of (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine?
The IUPAC name of (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine (CID 130967183) is (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine is N[C@H](c1ccc[nH]1)C1CCOCC1.
What is the InChIKey of (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine?
The InChIKey is YADFKOXYLLAWRW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O/c11-10(9-2-1-5-12-9)8-3-6-13-7-4-8/h1-2,5,8,10,12H,3-4,6-7,11H2/t10-/m0/s1.
What are the key properties of (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine?
(S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 130967183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).