N-cyclobutyloxepan-4-amine

C10H19NO — CID 65079311

IUPACN-cyclobutyloxepan-4-amine
SMILESC1CC(NC2CCCOCC2)C1
InChIInChI=1S/C10H19NO/c1-3-9(4-1)11-10-5-2-7-12-8-6-10/h9-11H,1-8H2
InChIKeyDCSPGBFJHLTDND-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About N-cyclobutyloxepan-4-amine

N-cyclobutyloxepan-4-amine (PubChem CID 65079311) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-cyclobutyloxepan-4-amine.

Molecular Properties

Compound NameN-cyclobutyloxepan-4-amine
PubChem CID65079311
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-cyclobutyloxepan-4-amine
SMILESC1CC(NC2CCCOCC2)C1
InChIInChI=1S/C10H19NO/c1-3-9(4-1)11-10-5-2-7-12-8-6-10/h9-11H,1-8H2
InChIKeyDCSPGBFJHLTDND-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyloxepan-4-amine?
The IUPAC name of N-cyclobutyloxepan-4-amine (CID 65079311) is N-cyclobutyloxepan-4-amine.
What is the SMILES notation for N-cyclobutyloxepan-4-amine?
The canonical SMILES for N-cyclobutyloxepan-4-amine is C1CC(NC2CCCOCC2)C1.
What is the InChIKey of N-cyclobutyloxepan-4-amine?
The InChIKey is DCSPGBFJHLTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(4-1)11-10-5-2-7-12-8-6-10/h9-11H,1-8H2.
What are the key properties of N-cyclobutyloxepan-4-amine?
N-cyclobutyloxepan-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyloxepan-4-amine is sourced from PubChem (CID 65079311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).