N-cycloheptyloxan-3-amine

C12H23NO — CID 63359772

IUPACN-cycloheptyloxan-3-amine
SMILESC1CCCC(NC2CCCOC2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-7-11(6-3-1)13-12-8-5-9-14-10-12/h11-13H,1-10H2
InChIKeyXIGXZNBZVJKMGW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds2

About N-cycloheptyloxan-3-amine

N-cycloheptyloxan-3-amine (PubChem CID 63359772) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-cycloheptyloxan-3-amine.

Molecular Properties

Compound NameN-cycloheptyloxan-3-amine
PubChem CID63359772
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-cycloheptyloxan-3-amine
SMILESC1CCCC(NC2CCCOC2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-7-11(6-3-1)13-12-8-5-9-14-10-12/h11-13H,1-10H2
InChIKeyXIGXZNBZVJKMGW-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyloxan-3-amine?
The IUPAC name of N-cycloheptyloxan-3-amine (CID 63359772) is N-cycloheptyloxan-3-amine.
What is the SMILES notation for N-cycloheptyloxan-3-amine?
The canonical SMILES for N-cycloheptyloxan-3-amine is C1CCCC(NC2CCCOC2)CC1.
What is the InChIKey of N-cycloheptyloxan-3-amine?
The InChIKey is XIGXZNBZVJKMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-4-7-11(6-3-1)13-12-8-5-9-14-10-12/h11-13H,1-10H2.
What are the key properties of N-cycloheptyloxan-3-amine?
N-cycloheptyloxan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyloxan-3-amine is sourced from PubChem (CID 63359772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).