N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine

C11H21F2N — CID 137488309

IUPACN-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC(F)(F)C1CC1
InChIInChI=1S/C11H21F2N/c1-9(2)4-3-7-14-8-11(12,13)10-5-6-10/h9-10,14H,3-8H2,1-2H3
InChIKeyMFYAYARSMYVMLL-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.06
Rot. Bonds7

About N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine

N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine (PubChem CID 137488309) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine
PubChem CID137488309
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC(F)(F)C1CC1
InChIInChI=1S/C11H21F2N/c1-9(2)4-3-7-14-8-11(12,13)10-5-6-10/h9-10,14H,3-8H2,1-2H3
InChIKeyMFYAYARSMYVMLL-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine?
The IUPAC name of N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine (CID 137488309) is N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine?
The canonical SMILES for N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine is CC(C)CCCNCC(F)(F)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine?
The InChIKey is MFYAYARSMYVMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-9(2)4-3-7-14-8-11(12,13)10-5-6-10/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine?
N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 137488309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).