N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine

C13H21NO — CID 139317767

IUPACN-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
SMILESCC1=CCC(N(C)C2CCOCC2)C=C1
InChIInChI=1S/C13H21NO/c1-11-3-5-12(6-4-11)14(2)13-7-9-15-10-8-13/h3-5,12-13H,6-10H2,1-2H3
InChIKeyAPAZRBRYFVVTHC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.37
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine

N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine (PubChem CID 139317767) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
PubChem CID139317767
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
SMILESCC1=CCC(N(C)C2CCOCC2)C=C1
InChIInChI=1S/C13H21NO/c1-11-3-5-12(6-4-11)14(2)13-7-9-15-10-8-13/h3-5,12-13H,6-10H2,1-2H3
InChIKeyAPAZRBRYFVVTHC-UHFFFAOYSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine?
The IUPAC name of N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine (CID 139317767) is N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine is CC1=CCC(N(C)C2CCOCC2)C=C1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine?
The InChIKey is APAZRBRYFVVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-3-5-12(6-4-11)14(2)13-7-9-15-10-8-13/h3-5,12-13H,6-10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine?
N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine is sourced from PubChem (CID 139317767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).