1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane

C12H26N2O — CID 61058092

IUPAC1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane
SMILESCOC(C)(C)CC(C)N1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-11(10-12(2,3)15-4)14-8-5-6-13-7-9-14/h11,13H,5-10H2,1-4H3
InChIKeyVCEZYWDCWGRQNE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane

1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane (PubChem CID 61058092) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane
PubChem CID61058092
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane
SMILESCOC(C)(C)CC(C)N1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-11(10-12(2,3)15-4)14-8-5-6-13-7-9-14/h11,13H,5-10H2,1-4H3
InChIKeyVCEZYWDCWGRQNE-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methoxy-2,2,4-trimethylpentyl)-1,4-diazepane
CID 123670940
4-[4-(2-amino-4-methoxy-4-methylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine;ethane
CID 142367475
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 29014274
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 29014276
N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 43146946
N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43146979
N'-(4-methoxy-4-methylpentan-2-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43147003
N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
CID 43147064
N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine
CID 43147077
[3-(Dimethylamino)propyl](4-methoxy-4-methylpentan-2-yl)amine
CID 43147093
1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43147147

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane?
The IUPAC name of 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane (CID 61058092) is 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane is COC(C)(C)CC(C)N1CCCNCC1.
What is the InChIKey of 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane?
The InChIKey is VCEZYWDCWGRQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(10-12(2,3)15-4)14-8-5-6-13-7-9-14/h11,13H,5-10H2,1-4H3.
What are the key properties of 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane?
1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane has a molecular weight of 214.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4-methylpentan-2-yl)-1,4-diazepane is sourced from PubChem (CID 61058092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).