N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C15H27NO — CID 64862875

IUPACN-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CC1CC1)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H27NO/c1-10(9-11-6-7-11)16-13-12-5-4-8-17-14(12)15(13,2)3/h10-14,16H,4-9H2,1-3H3
InChIKeyGEJZEENJUCYOAQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862875) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862875
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CC1CC1)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H27NO/c1-10(9-11-6-7-11)16-13-12-5-4-8-17-14(12)15(13,2)3/h10-14,16H,4-9H2,1-3H3
InChIKeyGEJZEENJUCYOAQ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910
8,8-dimethyl-N-(4-methylsulfinylbutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352229
7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906316
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
8,8-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863052
N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865167
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863914
7,7-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864093
8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864799
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-3-methoxypropan-1-ol
CID 114155618

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862875) is N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC(CC1CC1)NC1C2CCCOC2C1(C)C.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is GEJZEENJUCYOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10(9-11-6-7-11)16-13-12-5-4-8-17-14(12)15(13,2)3/h10-14,16H,4-9H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).