2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine

C18H36N2O — CID 62973882

IUPAC2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCCCC2)CCCO1
InChIInChI=1S/C18H36N2O/c1-16-13-20(11-8-12-21-16)15-18(9-6-5-7-10-18)14-19-17(2,3)4/h16,19H,5-15H2,1-4H3
InChIKeyLFMJDQBTHDNSGU-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds4

About 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 62973882) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID62973882
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCCCC2)CCCO1
InChIInChI=1S/C18H36N2O/c1-16-13-20(11-8-12-21-16)15-18(9-6-5-7-10-18)14-19-17(2,3)4/h16,19H,5-15H2,1-4H3
InChIKeyLFMJDQBTHDNSGU-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine (CID 62973882) is 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine is CC1CN(CC2(CNC(C)(C)C)CCCCC2)CCCO1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is LFMJDQBTHDNSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16-13-20(11-8-12-21-16)15-18(9-6-5-7-10-18)14-19-17(2,3)4/h16,19H,5-15H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 296.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62973882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).