4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine

C17H34N2O — CID 62974601

IUPAC4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CN(CC2CC(C(C)(C)C)CCC2N)CCCO1
InChIInChI=1S/C17H34N2O/c1-13-11-19(8-5-9-20-13)12-14-10-15(17(2,3)4)6-7-16(14)18/h13-16H,5-12,18H2,1-4H3
InChIKeyKGPSODFZCNPLKT-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.89
Rot. Bonds2

About 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine

4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62974601) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
PubChem CID62974601
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CN(CC2CC(C(C)(C)C)CCC2N)CCCO1
InChIInChI=1S/C17H34N2O/c1-13-11-19(8-5-9-20-13)12-14-10-15(17(2,3)4)6-7-16(14)18/h13-16H,5-12,18H2,1-4H3
InChIKeyKGPSODFZCNPLKT-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
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-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine (CID 62974601) is 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine is CC1CN(CC2CC(C(C)(C)C)CCC2N)CCCO1.
What is the InChIKey of 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is KGPSODFZCNPLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13-11-19(8-5-9-20-13)12-14-10-15(17(2,3)4)6-7-16(14)18/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62974601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).