1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine

C11H21F2N — CID 80605427

IUPAC1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(C(F)F)CCCCC1C
InChIInChI=1S/C11H21F2N/c1-3-8-14-11(10(12)13)7-5-4-6-9(11)2/h9-10,14H,3-8H2,1-2H3
InChIKeyWJPHHMUCCJUXPL-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.20
Rot. Bonds4

About 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine

1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine (PubChem CID 80605427) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine
PubChem CID80605427
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(C(F)F)CCCCC1C
InChIInChI=1S/C11H21F2N/c1-3-8-14-11(10(12)13)7-5-4-6-9(11)2/h9-10,14H,3-8H2,1-2H3
InChIKeyWJPHHMUCCJUXPL-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 80604580
1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 80605656
1-(difluoromethyl)-N-propylcycloheptan-1-amine
CID 80604942
1-(aminomethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045216
2-tert-butyl-1-(difluoromethyl)-N-methylcyclohexan-1-amine
CID 80604670
4-(difluoromethyl)-N-propyloxepan-4-amine
CID 80606016
1-(difluoromethyl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 80605897
1-(difluoromethyl)-N-ethylcyclohexan-1-amine
CID 80605879
4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
CID 80605882
N-propyl-1-(trifluoromethyl)cyclopentan-1-amine
CID 66206814
N,2-dimethyl-1-propan-2-ylcyclopentan-1-amine
CID 174294347
1,4-dimethyl-N-propylcyclohexan-1-amine
CID 130638305

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine (CID 80605427) is 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine is CCCNC1(C(F)F)CCCCC1C.
What is the InChIKey of 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine?
The InChIKey is WJPHHMUCCJUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-3-8-14-11(10(12)13)7-5-4-6-9(11)2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine?
1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 80605427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).