3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane

C14H30N2 — CID 64871531

IUPAC3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane
SMILESCCC1(CC)CN(CCC(C)C)CCCN1
InChIInChI=1S/C14H30N2/c1-5-14(6-2)12-16(10-7-9-15-14)11-8-13(3)4/h13,15H,5-12H2,1-4H3
InChIKeyYIEVYHITZLVUPP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds5

About 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane

3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane (PubChem CID 64871531) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane
PubChem CID64871531
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane
SMILESCCC1(CC)CN(CCC(C)C)CCCN1
InChIInChI=1S/C14H30N2/c1-5-14(6-2)12-16(10-7-9-15-14)11-8-13(3)4/h13,15H,5-12H2,1-4H3
InChIKeyYIEVYHITZLVUPP-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane (CID 64871531) is 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane is CCC1(CC)CN(CCC(C)C)CCCN1.
What is the InChIKey of 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane?
The InChIKey is YIEVYHITZLVUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(6-2)12-16(10-7-9-15-14)11-8-13(3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane?
3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane has a molecular weight of 226.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane is sourced from PubChem (CID 64871531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).