3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane

C13H23F3N2 — CID 64871206

IUPAC3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
SMILESCC1CCNC(C)(C2CC2)CN1CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-10-5-7-17-12(2,11-3-4-11)9-18(10)8-6-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyMIUXYAIQOBDLQS-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds3

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

3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane (PubChem CID 64871206) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
PubChem CID64871206
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
SMILESCC1CCNC(C)(C2CC2)CN1CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-10-5-7-17-12(2,11-3-4-11)9-18(10)8-6-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyMIUXYAIQOBDLQS-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2-ethoxyethyl)-3,7-dimethyl-1,4-diazepane
CID 64871599
3-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,7-dimethyl-1,4-diazepane
CID 65096316
3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64871799
5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876752
3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64870613
3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64871007
3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870416
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870220
5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64860416
1-(2-cyclohexylethyl)-5-cyclopropyl-2,5-dimethylpiperazine
CID 64934954
4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946958
3-cyclopropyl-7-methyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64871611

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane (CID 64871206) is 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane is CC1CCNC(C)(C2CC2)CN1CCC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
The InChIKey is MIUXYAIQOBDLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-10-5-7-17-12(2,11-3-4-11)9-18(10)8-6-13(14,15)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane has a molecular weight of 264.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane is sourced from PubChem (CID 64871206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).