N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine

C15H27F2N — CID 114225117

IUPACN-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C15H27F2N/c1-3-14(2,11-18-13-6-7-13)9-12-5-4-8-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3
InChIKeyALASWDYZCVJVDY-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.37
Rot. Bonds6

About N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine

N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 114225117) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID114225117
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC NameN-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C15H27F2N/c1-3-14(2,11-18-13-6-7-13)9-12-5-4-8-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3
InChIKeyALASWDYZCVJVDY-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-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine (CID 114225117) is N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine is CCC(C)(CNC1CC1)CC1CCCC(F)(F)C1.
What is the InChIKey of N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is ALASWDYZCVJVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-3-14(2,11-18-13-6-7-13)9-12-5-4-8-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]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-[2-[(3,3-difluorocyclohexyl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 114225117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).