N,4,4-trimethyloxazepan-7-amine

C8H18N2O — CID 155451058

IUPACN,4,4-trimethyloxazepan-7-amine
SMILESCNC1CCC(C)(C)CNO1
InChIInChI=1S/C8H18N2O/c1-8(2)5-4-7(9-3)11-10-6-8/h7,9-10H,4-6H2,1-3H3
InChIKeyMNJBVXRHRIWDTA-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.87
Rot. Bonds1

About N,4,4-trimethyloxazepan-7-amine

N,4,4-trimethyloxazepan-7-amine (PubChem CID 155451058) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N,4,4-trimethyloxazepan-7-amine.

Molecular Properties

Compound NameN,4,4-trimethyloxazepan-7-amine
PubChem CID155451058
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN,4,4-trimethyloxazepan-7-amine
SMILESCNC1CCC(C)(C)CNO1
InChIInChI=1S/C8H18N2O/c1-8(2)5-4-7(9-3)11-10-6-8/h7,9-10H,4-6H2,1-3H3
InChIKeyMNJBVXRHRIWDTA-UHFFFAOYSA-N
XLogP0.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyloxazepan-7-amine?
The IUPAC name of N,4,4-trimethyloxazepan-7-amine (CID 155451058) is N,4,4-trimethyloxazepan-7-amine.
What is the SMILES notation for N,4,4-trimethyloxazepan-7-amine?
The canonical SMILES for N,4,4-trimethyloxazepan-7-amine is CNC1CCC(C)(C)CNO1.
What is the InChIKey of N,4,4-trimethyloxazepan-7-amine?
The InChIKey is MNJBVXRHRIWDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2)5-4-7(9-3)11-10-6-8/h7,9-10H,4-6H2,1-3H3.
What are the key properties of N,4,4-trimethyloxazepan-7-amine?
N,4,4-trimethyloxazepan-7-amine has a molecular weight of 158.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyloxazepan-7-amine is sourced from PubChem (CID 155451058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).