4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine

C12H24F2N2 — CID 80605882

IUPAC4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
SMILESCCCNC1(C(F)F)CCCN(CC)CC1
InChIInChI=1S/C12H24F2N2/c1-3-8-15-12(11(13)14)6-5-9-16(4-2)10-7-12/h11,15H,3-10H2,1-2H3
InChIKeyPUFVGPQCNFHUDY-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.50
Rot. Bonds5

About 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine

4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine (PubChem CID 80605882) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
PubChem CID80605882
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
SMILESCCCNC1(C(F)F)CCCN(CC)CC1
InChIInChI=1S/C12H24F2N2/c1-3-8-15-12(11(13)14)6-5-9-16(4-2)10-7-12/h11,15H,3-10H2,1-2H3
InChIKeyPUFVGPQCNFHUDY-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethyl)-N-propylcycloheptan-1-amine
CID 80604942
3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine
CID 80605774
4-(difluoromethyl)-N-propyloxepan-4-amine
CID 80606016
4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 80610896
1-(difluoromethyl)-N-ethylcyclohexan-1-amine
CID 80605879
1-ethyl-5,5-difluoroazocane
CID 162614940
4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
CID 80605526
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)-2-fluoroacetate
CID 79366817
1,6-diethyl-1,6-diazecane
CID 172611513
1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine
CID 80605427
1-(difluoromethyl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 80605897
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine (CID 80605882) is 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine is CCCNC1(C(F)F)CCCN(CC)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine?
The InChIKey is PUFVGPQCNFHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-3-8-15-12(11(13)14)6-5-9-16(4-2)10-7-12/h11,15H,3-10H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine?
4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine has a molecular weight of 234.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine is sourced from PubChem (CID 80605882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).