[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine

C16H32N2O — CID 62987758

IUPAC[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCCOC(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-14-6-7-15(11-17)16(10-14)18-8-4-9-19-13(2)12-18/h13-16H,3-12,17H2,1-2H3
InChIKeyHJJBQHVKUBASSF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds4

About [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine

[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine (PubChem CID 62987758) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
PubChem CID62987758
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCCOC(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-14-6-7-15(11-17)16(10-14)18-8-4-9-19-13(2)12-18/h13-16H,3-12,17H2,1-2H3
InChIKeyHJJBQHVKUBASSF-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine (CID 62987758) is [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(N2CCCOC(C)C2)C1.
What is the InChIKey of [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is HJJBQHVKUBASSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-14-6-7-15(11-17)16(10-14)18-8-4-9-19-13(2)12-18/h13-16H,3-12,17H2,1-2H3.
What are the key properties of [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine?
[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 62987758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).