4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine

C16H34N2O — CID 114867657

IUPAC4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CC(CN)(CC(C)C)N1CCCOC(C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)9-16(12-17,10-14(3)4)18-7-6-8-19-15(5)11-18/h13-15H,6-12,17H2,1-5H3
InChIKeyBYKKELAEWCLONZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds6

About 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine

4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine (PubChem CID 114867657) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine
PubChem CID114867657
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CC(CN)(CC(C)C)N1CCCOC(C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)9-16(12-17,10-14(3)4)18-7-6-8-19-15(5)11-18/h13-15H,6-12,17H2,1-5H3
InChIKeyBYKKELAEWCLONZ-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine (CID 114867657) is 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine is CC(C)CC(CN)(CC(C)C)N1CCCOC(C)C1.
What is the InChIKey of 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine?
The InChIKey is BYKKELAEWCLONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)9-16(12-17,10-14(3)4)18-7-6-8-19-15(5)11-18/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine?
4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 114867657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).