[(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine

C13H21NO — CID 134408081

IUPAC[(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine
SMILESCC1=CCC([C@@H]2CCC[C@H](CN)O2)C=C1
InChIInChI=1S/C13H21NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h5-7,11-13H,2-4,8-9,14H2,1H3/t11?,12-,13+/m1/s1
InChIKeyNKYQGLAVPAZPGZ-HDYSRYHKSA-N
MW207.32 g/mol
LogP2.41
Rot. Bonds2

About [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine

[(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine (PubChem CID 134408081) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine
PubChem CID134408081
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine
SMILESCC1=CCC([C@@H]2CCC[C@H](CN)O2)C=C1
InChIInChI=1S/C13H21NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h5-7,11-13H,2-4,8-9,14H2,1H3/t11?,12-,13+/m1/s1
InChIKeyNKYQGLAVPAZPGZ-HDYSRYHKSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine?
The IUPAC name of [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine (CID 134408081) is [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine.
What is the SMILES notation for [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine?
The canonical SMILES for [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine is CC1=CCC([C@@H]2CCC[C@H](CN)O2)C=C1.
What is the InChIKey of [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine?
The InChIKey is NKYQGLAVPAZPGZ-HDYSRYHKSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h5-7,11-13H,2-4,8-9,14H2,1H3/t11?,12-,13+/m1/s1.
What are the key properties of [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine?
[(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine is sourced from PubChem (CID 134408081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).