N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine

C15H27F2N — CID 114225508

IUPACN-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C15H27F2N/c1-14(2,8-9-18-13-5-6-13)10-12-4-3-7-15(16,17)11-12/h12-13,18H,3-11H2,1-2H3
InChIKeyFSOHLPXZVUOIJC-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.37
Rot. Bonds6

About N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine

N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 114225508) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine
PubChem CID114225508
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC NameN-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C15H27F2N/c1-14(2,8-9-18-13-5-6-13)10-12-4-3-7-15(16,17)11-12/h12-13,18H,3-11H2,1-2H3
InChIKeyFSOHLPXZVUOIJC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine (CID 114225508) is N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine is CC(C)(CCNC1CC1)CC1CCCC(F)(F)C1.
What is the InChIKey of N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is FSOHLPXZVUOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-14(2,8-9-18-13-5-6-13)10-12-4-3-7-15(16,17)11-12/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine?
N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 259.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-difluorocyclohexyl)-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 114225508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).