3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane

C14H28N2 — CID 64944681

IUPAC3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane
SMILESCCC(C)(C)N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C14H28N2/c1-5-13(2,3)16-10-6-9-15-14(4,11-16)12-7-8-12/h12,15H,5-11H2,1-4H3
InChIKeyRGXLPVVCEVUKPP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds3

About 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane

3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane (PubChem CID 64944681) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane
PubChem CID64944681
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane
SMILESCCC(C)(C)N1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C14H28N2/c1-5-13(2,3)16-10-6-9-15-14(4,11-16)12-7-8-12/h12,15H,5-11H2,1-4H3
InChIKeyRGXLPVVCEVUKPP-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane (CID 64944681) is 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane is CCC(C)(C)N1CCCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane?
The InChIKey is RGXLPVVCEVUKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-13(2,3)16-10-6-9-15-14(4,11-16)12-7-8-12/h12,15H,5-11H2,1-4H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane?
3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane is sourced from PubChem (CID 64944681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).