1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane

C14H30N2O — CID 123670940

IUPAC1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane
SMILESCOC(C)(C)CC(C)(C)CN1CCCNCC1
InChIInChI=1S/C14H30N2O/c1-13(2,11-14(3,4)17-5)12-16-9-6-7-15-8-10-16/h15H,6-12H2,1-5H3
InChIKeyAFVKRCJGJHCDNM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane

1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane (PubChem CID 123670940) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane
PubChem CID123670940
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane
SMILESCOC(C)(C)CC(C)(C)CN1CCCNCC1
InChIInChI=1S/C14H30N2O/c1-13(2,11-14(3,4)17-5)12-16-9-6-7-15-8-10-16/h15H,6-12H2,1-5H3
InChIKeyAFVKRCJGJHCDNM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxy-2,2,4-trimethylpentyl)piperazine
CID 123880515
1-(4-Methoxy-2-methylpentyl)-1,4-diazepane
CID 135296429
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-2,2,4-trimethylpentyl)-N-methyl-N'-propylethane-1,2-diamine
CID 144147499
ethane;4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine
CID 156867141
N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine
CID 174136630
1-(4-Methoxy-4-methylpentan-2-yl)-1,4-diazepane
CID 61058092
1-(4-Methoxybutyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64949143
1-[2-(3-Ethyloxetan-3-yl)ethyl]-1,4-diazepane
CID 84081194
2-(2-Ethyl-4-methyl-1,4-diazepan-1-yl)-4-methoxy-4-methylpentan-1-amine
CID 105586655
1-(4-Methoxy-2,2-dimethylbutyl)-1,4-diazepane
CID 105889690
1-(4-Methoxy-2,2-dimethylbutyl)-3-(2-methylpropyl)-1,4-diazepane
CID 105889713

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane?
The IUPAC name of 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane (CID 123670940) is 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane.
What is the SMILES notation for 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane?
The canonical SMILES for 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane is COC(C)(C)CC(C)(C)CN1CCCNCC1.
What is the InChIKey of 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane?
The InChIKey is AFVKRCJGJHCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,11-14(3,4)17-5)12-16-9-6-7-15-8-10-16/h15H,6-12H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane?
1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane is sourced from PubChem (CID 123670940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).