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

C16H32N2O — CID 65088033

IUPAC[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C)(C)CC2)CCCO1
InChIInChI=1S/C16H32N2O/c1-14-12-18(10-5-11-19-14)16(13-17)7-4-6-15(2,3)8-9-16/h14H,4-13,17H2,1-3H3
InChIKeyQEZAEXGAJDOFHH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds2

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

[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine (PubChem CID 65088033) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
PubChem CID65088033
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C)(C)CC2)CCCO1
InChIInChI=1S/C16H32N2O/c1-14-12-18(10-5-11-19-14)16(13-17)7-4-6-15(2,3)8-9-16/h14H,4-13,17H2,1-3H3
InChIKeyQEZAEXGAJDOFHH-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine with MolForge

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Related Compounds

[1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088160
[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62988984
[1-(2-methylmorpholin-4-yl)cyclopropyl]methanamine
CID 106660995
[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
CID 43099350
[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine
CID 65074829
[1-(3,5-dimethylpiperidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088509
[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761757
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[3,3-dimethyl-1-(3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705682
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761755

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine (CID 65088033) is [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine is CC1CN(C2(CN)CCCC(C)(C)CC2)CCCO1.
What is the InChIKey of [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine?
The InChIKey is QEZAEXGAJDOFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14-12-18(10-5-11-19-14)16(13-17)7-4-6-15(2,3)8-9-16/h14H,4-13,17H2,1-3H3.
What are the key properties of [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine?
[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine is sourced from PubChem (CID 65088033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).