N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C14H27NO — CID 64863914

IUPACN-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCCC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C14H27NO/c1-5-6-7-10(2)15-12-11-8-9-16-13(11)14(12,3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyAAAKGYZVMXUUBR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863914) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863914
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCCC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C14H27NO/c1-5-6-7-10(2)15-12-11-8-9-16-13(11)14(12,3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyAAAKGYZVMXUUBR-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863914) is N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCCCC(C)NC1C2CCOC2C1(C)C.
What is the InChIKey of N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is AAAKGYZVMXUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-7-10(2)15-12-11-8-9-16-13(11)14(12,3)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).