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

C10H22N2O — CID 131115606

IUPAC[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
SMILESCC(C)CN1CCCOC(CN)C1
InChIInChI=1S/C10H22N2O/c1-9(2)7-12-4-3-5-13-10(6-11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyNICKPEBJHODJPL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds3

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

[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine (PubChem CID 131115606) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
PubChem CID131115606
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
SMILESCC(C)CN1CCCOC(CN)C1
InChIInChI=1S/C10H22N2O/c1-9(2)7-12-4-3-5-13-10(6-11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyNICKPEBJHODJPL-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
CID 131115600
[4-(2-ethylbutyl)morpholin-2-yl]methanamine
CID 82924060
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
CID 61336630
2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide
CID 131054195
[4-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazin-2-yl]methanamine
CID 80506904
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 130485470
1-[1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-4-yl]ethanamine
CID 63595361

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine (CID 131115606) is [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine is CC(C)CN1CCCOC(CN)C1.
What is the InChIKey of [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine?
The InChIKey is NICKPEBJHODJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)7-12-4-3-5-13-10(6-11)8-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine?
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine is sourced from PubChem (CID 131115606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).