N-cyclohexyloxepan-4-amine

C12H23NO — CID 65076598

IUPACN-cyclohexyloxepan-4-amine
SMILESC1CCC(NC2CCCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-2-5-11(6-3-1)13-12-7-4-9-14-10-8-12/h11-13H,1-10H2
InChIKeyIDTNAQMVZKYSBB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds2

About N-cyclohexyloxepan-4-amine

N-cyclohexyloxepan-4-amine (PubChem CID 65076598) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-cyclohexyloxepan-4-amine.

Molecular Properties

Compound NameN-cyclohexyloxepan-4-amine
PubChem CID65076598
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-cyclohexyloxepan-4-amine
SMILESC1CCC(NC2CCCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-2-5-11(6-3-1)13-12-7-4-9-14-10-8-12/h11-13H,1-10H2
InChIKeyIDTNAQMVZKYSBB-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-cyclohexyloxepan-4-amine?
The IUPAC name of N-cyclohexyloxepan-4-amine (CID 65076598) is N-cyclohexyloxepan-4-amine.
What is the SMILES notation for N-cyclohexyloxepan-4-amine?
The canonical SMILES for N-cyclohexyloxepan-4-amine is C1CCC(NC2CCCOCC2)CC1.
What is the InChIKey of N-cyclohexyloxepan-4-amine?
The InChIKey is IDTNAQMVZKYSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-5-11(6-3-1)13-12-7-4-9-14-10-8-12/h11-13H,1-10H2.
What are the key properties of N-cyclohexyloxepan-4-amine?
N-cyclohexyloxepan-4-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-cyclohexyloxepan-4-amine is sourced from PubChem (CID 65076598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).