N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine

C15H28N2O — CID 64865191

IUPACN'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1C2CCCOC2C1(C)C)C1CC1
InChIInChI=1S/C15H28N2O/c1-15(2)13(12-5-4-10-18-14(12)15)16-8-9-17(3)11-6-7-11/h11-14,16H,4-10H2,1-3H3
InChIKeyJYWBURFLCVIWRA-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.87
Rot. Bonds5

About N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine (PubChem CID 64865191) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine
PubChem CID64865191
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1C2CCCOC2C1(C)C)C1CC1
InChIInChI=1S/C15H28N2O/c1-15(2)13(12-5-4-10-18-14(12)15)16-8-9-17(3)11-6-7-11/h11-14,16H,4-10H2,1-3H3
InChIKeyJYWBURFLCVIWRA-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-dimethylbutane-1,4-diamine
CID 64864993
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64864800
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 64871843
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-dimethylpropanamide
CID 64864982
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 97090293
8,8-dimethyl-N-(2-phenylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863596
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide
CID 75472026
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
CID 102676232
8,8-dimethyl-N-(2-phenylsulfanylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864010
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(1R,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 124865808

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine (CID 64865191) is N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine is CN(CCNC1C2CCCOC2C1(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine?
The InChIKey is JYWBURFLCVIWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)13(12-5-4-10-18-14(12)15)16-8-9-17(3)11-6-7-11/h11-14,16H,4-10H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 64865191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).