1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane

C12H26N2O — CID 65053830

IUPAC1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane
SMILESCOCC(C(C)C)N1CCCNC(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)12(9-15-4)14-7-5-6-13-11(3)8-14/h10-13H,5-9H2,1-4H3
InChIKeyXVZHFKNEUCQYQD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds4

About 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane

1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane (PubChem CID 65053830) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane
PubChem CID65053830
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane
SMILESCOCC(C(C)C)N1CCCNC(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)12(9-15-4)14-7-5-6-13-11(3)8-14/h10-13H,5-9H2,1-4H3
InChIKeyXVZHFKNEUCQYQD-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
CID 65053770
1-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethyl-1,4-diazepane
CID 65053715
3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
CID 65053430
3-tert-butyl-1-(1-methoxypropan-2-yl)-1,4-diazepane
CID 64940168
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-3-phenyl-1,4-diazepane
CID 65053659
3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864
1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136
1-(1-methoxypentan-2-yl)-3-propyl-1,4-diazepane
CID 64950428
3-benzyl-1-(1-methoxypropan-2-yl)-1,4-diazepane
CID 64940163
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine
CID 64951139

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane?
The IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane (CID 65053830) is 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane is COCC(C(C)C)N1CCCNC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane?
The InChIKey is XVZHFKNEUCQYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(9-15-4)14-7-5-6-13-11(3)8-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane?
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane has a molecular weight of 214.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 65053830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).