N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine

C11H21F2N — CID 126987518

IUPACN-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)CNC1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2N/c1-10(2,3)8-14-9-4-6-11(12,13)7-5-9/h9,14H,4-8H2,1-3H3
InChIKeyQWYPYSOPTWOPPK-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.20
Rot. Bonds2

About N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine

N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine (PubChem CID 126987518) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine
PubChem CID126987518
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)CNC1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2N/c1-10(2,3)8-14-9-4-6-11(12,13)7-5-9/h9,14H,4-8H2,1-3H3
InChIKeyQWYPYSOPTWOPPK-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine (CID 126987518) is N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine is CC(C)(C)CNC1CCC(F)(F)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine?
The InChIKey is QWYPYSOPTWOPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-10(2,3)8-14-9-4-6-11(12,13)7-5-9/h9,14H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine?
N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 126987518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).