1-(3-fluoropropyl)-3-methyl-1,4-diazepane

C9H19FN2 — CID 81113476

IUPAC1-(3-fluoropropyl)-3-methyl-1,4-diazepane
SMILESCC1CN(CCCF)CCCN1
InChIInChI=1S/C9H19FN2/c1-9-8-12(6-2-4-10)7-3-5-11-9/h9,11H,2-8H2,1H3
InChIKeyOISKSLALWAIUKM-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.03
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methyl-1,4-diazepane

1-(3-fluoropropyl)-3-methyl-1,4-diazepane (PubChem CID 81113476) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methyl-1,4-diazepane
PubChem CID81113476
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name1-(3-fluoropropyl)-3-methyl-1,4-diazepane
SMILESCC1CN(CCCF)CCCN1
InChIInChI=1S/C9H19FN2/c1-9-8-12(6-2-4-10)7-3-5-11-9/h9,11H,2-8H2,1H3
InChIKeyOISKSLALWAIUKM-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115522482
3-methyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327095
1-(3-fluoropropyl)-3-(2-methylpropyl)-1,4-diazepane
CID 81113598
1-hex-5-ynyl-3-methyl-1,4-diazepane
CID 106211631
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
CID 81114088
3-methyl-1-(3-propoxypropyl)-1,4-diazepane
CID 82947779
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine
CID 64951139
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
CID 114469706
N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
CID 95436399

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methyl-1,4-diazepane?
The IUPAC name of 1-(3-fluoropropyl)-3-methyl-1,4-diazepane (CID 81113476) is 1-(3-fluoropropyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(3-fluoropropyl)-3-methyl-1,4-diazepane is CC1CN(CCCF)CCCN1.
What is the InChIKey of 1-(3-fluoropropyl)-3-methyl-1,4-diazepane?
The InChIKey is OISKSLALWAIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9-8-12(6-2-4-10)7-3-5-11-9/h9,11H,2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methyl-1,4-diazepane?
1-(3-fluoropropyl)-3-methyl-1,4-diazepane has a molecular weight of 174.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 81113476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).