N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine

C12H20N2O — CID 163655813

IUPACN-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine
SMILESCC(NC1C=CC=CC1)[C@H]1CN(C)CO1
InChIInChI=1S/C12H20N2O/c1-10(12-8-14(2)9-15-12)13-11-6-4-3-5-7-11/h3-6,10-13H,7-9H2,1-2H3/t10?,11?,12-/m1/s1
InChIKeyIQCOOIPPTBIXMT-HTAVTVPLSA-N
MW208.31 g/mol
LogP1.14
Rot. Bonds3

About N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine

N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine (PubChem CID 163655813) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine
PubChem CID163655813
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine
SMILESCC(NC1C=CC=CC1)[C@H]1CN(C)CO1
InChIInChI=1S/C12H20N2O/c1-10(12-8-14(2)9-15-12)13-11-6-4-3-5-7-11/h3-6,10-13H,7-9H2,1-2H3/t10?,11?,12-/m1/s1
InChIKeyIQCOOIPPTBIXMT-HTAVTVPLSA-N
XLogP1.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine (CID 163655813) is N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine is CC(NC1C=CC=CC1)[C@H]1CN(C)CO1.
What is the InChIKey of N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is IQCOOIPPTBIXMT-HTAVTVPLSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(12-8-14(2)9-15-12)13-11-6-4-3-5-7-11/h3-6,10-13H,7-9H2,1-2H3/t10?,11?,12-/m1/s1.
What are the key properties of N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine?
N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163655813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).