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

C15H29NO2 — CID 64862878

IUPACN-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCCC(COC)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H29NO2/c1-5-7-11(10-17-4)16-13-12-8-6-9-18-14(12)15(13,2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyNYGCXYYTSLQXNF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.59
Rot. Bonds6

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

N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862878) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862878
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCCC(COC)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H29NO2/c1-5-7-11(10-17-4)16-13-12-8-6-9-18-14(12)15(13,2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyNYGCXYYTSLQXNF-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862878) is N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCCC(COC)NC1C2CCCOC2C1(C)C.
What is the InChIKey of N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is NYGCXYYTSLQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-11(10-17-4)16-13-12-8-6-9-18-14(12)15(13,2)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 255.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).