2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine

C11H21NO — CID 79445783

IUPAC2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
SMILESCCC(C)C(N)C1CC2CCC1O2
InChIInChI=1S/C11H21NO/c1-3-7(2)11(12)9-6-8-4-5-10(9)13-8/h7-11H,3-6,12H2,1-2H3
InChIKeyRFMAKIWCSWJUPP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine

2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine (PubChem CID 79445783) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
PubChem CID79445783
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
SMILESCCC(C)C(N)C1CC2CCC1O2
InChIInChI=1S/C11H21NO/c1-3-7(2)11(12)9-6-8-4-5-10(9)13-8/h7-11H,3-6,12H2,1-2H3
InChIKeyRFMAKIWCSWJUPP-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
CID 105221485
3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol
CID 127009318
1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
CID 130966059
[2-methoxy-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221731
1-amino-3-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]urea
CID 131123362
7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744529
N-ethyl-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
CID 79179487
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanesulfonamide
CID 165445467
[2-cyclopropyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221479
2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 105406187
4-methoxy-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 115626673
2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine (CID 79445783) is 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine is CCC(C)C(N)C1CC2CCC1O2.
What is the InChIKey of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
The InChIKey is RFMAKIWCSWJUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-7(2)11(12)9-6-8-4-5-10(9)13-8/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine is sourced from PubChem (CID 79445783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).