3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane

C14H28N2O — CID 64948960

IUPAC3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
SMILESCOCC(C)CN1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C14H28N2O/c1-12(10-17-3)9-16-8-4-7-15-14(2,11-16)13-5-6-13/h12-13,15H,4-11H2,1-3H3
InChIKeyGGKYKVMZRHUSHX-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds5

About 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane

3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane (PubChem CID 64948960) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
PubChem CID64948960
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
SMILESCOCC(C)CN1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C14H28N2O/c1-12(10-17-3)9-16-8-4-7-15-14(2,11-16)13-5-6-13/h12-13,15H,4-11H2,1-3H3
InChIKeyGGKYKVMZRHUSHX-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane (CID 64948960) is 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane is COCC(C)CN1CCCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
The InChIKey is GGKYKVMZRHUSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(10-17-3)9-16-8-4-7-15-14(2,11-16)13-5-6-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
3-cyclopropyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane has a molecular weight of 240.39 g/mol, XLogP of 1.73, 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-2-methylpropyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 64948960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).