7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C16H29NO — CID 103883975

IUPAC7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1CCCC(CNC2C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H29NO/c1-11-5-4-6-12(9-11)10-17-14-13-7-8-18-15(13)16(14,2)3/h11-15,17H,4-10H2,1-3H3
InChIKeyVWHOHOMJTQHBDU-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.22
Rot. Bonds3

About 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 103883975) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID103883975
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1CCCC(CNC2C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H29NO/c1-11-5-4-6-12(9-11)10-17-14-13-7-8-18-15(13)16(14,2)3/h11-15,17H,4-10H2,1-3H3
InChIKeyVWHOHOMJTQHBDU-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine hydrochloride
CID 53621896
N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 53621897
7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863513
7,7-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864113
7,7-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864476
7,7-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864478
7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872029
7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103785787
7,7-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113326974
N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115405849
7,7-dimethyl-N-(5,5,5-trifluoropentyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115517386
N-(3-fluoropropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906511

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 103883975) is 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1CCCC(CNC2C3CCOC3C2(C)C)C1.
What is the InChIKey of 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is VWHOHOMJTQHBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11-5-4-6-12(9-11)10-17-14-13-7-8-18-15(13)16(14,2)3/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 251.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 103883975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).