1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine

C12H23F2N — CID 80605656

IUPAC1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(C(F)F)CCCC(C)C1C
InChIInChI=1S/C12H23F2N/c1-4-8-15-12(11(13)14)7-5-6-9(2)10(12)3/h9-11,15H,4-8H2,1-3H3
InChIKeyYLEATPJIUYJQTQ-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.45
Rot. Bonds4

About 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine

1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 80605656) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine
PubChem CID80605656
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(C(F)F)CCCC(C)C1C
InChIInChI=1S/C12H23F2N/c1-4-8-15-12(11(13)14)7-5-6-9(2)10(12)3/h9-11,15H,4-8H2,1-3H3
InChIKeyYLEATPJIUYJQTQ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine
CID 80605427
1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 80604580
1-(difluoromethyl)-N-propylcycloheptan-1-amine
CID 80604942
methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
CID 65236117
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 64755799
4-(difluoromethyl)-N-propyloxepan-4-amine
CID 80606016
1-(difluoromethyl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 80605897
1-(aminomethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045216
4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
CID 80605882
1,4-dimethyl-N-propylcyclohexan-1-amine
CID 130638305
1-(ethylaminomethyl)-2,3-dimethylcyclohexan-1-ol
CID 64755854
1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol
CID 79416014

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine (CID 80605656) is 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine is CCCNC1(C(F)F)CCCC(C)C1C.
What is the InChIKey of 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is YLEATPJIUYJQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-4-8-15-12(11(13)14)7-5-6-9(2)10(12)3/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine?
1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 80605656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).