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

C16H32N2O — CID 62988984

IUPAC[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCC(C(C)C)CC2)CCCO1
InChIInChI=1S/C16H32N2O/c1-13(2)15-5-7-16(12-17,8-6-15)18-9-4-10-19-14(3)11-18/h13-15H,4-12,17H2,1-3H3
InChIKeyDBHFLANMAJGIRW-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds3

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

[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 62988984) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID62988984
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCC(C(C)C)CC2)CCCO1
InChIInChI=1S/C16H32N2O/c1-13(2)15-5-7-16(12-17,8-6-15)18-9-4-10-19-14(3)11-18/h13-15H,4-12,17H2,1-3H3
InChIKeyDBHFLANMAJGIRW-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine (CID 62988984) is [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine is CC1CN(C2(CN)CCC(C(C)C)CC2)CCCO1.
What is the InChIKey of [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is DBHFLANMAJGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)15-5-7-16(12-17,8-6-15)18-9-4-10-19-14(3)11-18/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine?
[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 62988984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).