3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane

C16H32N2O — CID 103016748

IUPAC3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane
SMILESCOC(C)(C)CCN1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C16H32N2O/c1-13-8-10-17-16(4,14-6-7-14)12-18(13)11-9-15(2,3)19-5/h13-14,17H,6-12H2,1-5H3
InChIKeyOIIWYURYVQFJQP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds5

About 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane

3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane (PubChem CID 103016748) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane
PubChem CID103016748
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane
SMILESCOC(C)(C)CCN1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C16H32N2O/c1-13-8-10-17-16(4,14-6-7-14)12-18(13)11-9-15(2,3)19-5/h13-14,17H,6-12H2,1-5H3
InChIKeyOIIWYURYVQFJQP-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-amino-4-methoxy-4-methylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine;ethane
CID 142367475
3-Cyclopropyl-1-(3-methoxypropyl)-7-methyl-1,4-diazepane
CID 64869271
3-Cyclopropyl-1-(3-methoxypropyl)-3-methyl-1,4-diazepane
CID 64869710
1-(2-Butoxyethyl)-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
CID 64870021
3-Cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870416
3-Cyclopropyl-1-(2-methoxyethyl)-3,7-dimethyl-1,4-diazepane
CID 64870418
3-Cyclopropyl-1-(3-methoxypropyl)-1,4-diazepane
CID 64871118
3-Cyclopropyl-3,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64871796
3-Cyclopropyl-1-(3-methoxypropyl)-3,7-dimethyl-1,4-diazepane
CID 64872000
3-Cyclopropyl-1-(1-methoxypropan-2-yl)-3-methyl-1,4-diazepane
CID 64940167
3-Cyclopropyl-1-(3-ethoxypropyl)-3-methyl-1,4-diazepane
CID 64944689
3-Cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
CID 64948960

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane (CID 103016748) is 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane is COC(C)(C)CCN1CC(C)(C2CC2)NCCC1C.
What is the InChIKey of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane?
The InChIKey is OIIWYURYVQFJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-8-10-17-16(4,14-6-7-14)12-18(13)11-9-15(2,3)19-5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane?
3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane has a molecular weight of 268.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-3,7-dimethyl-1,4-diazepane is sourced from PubChem (CID 103016748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).