N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide

C13H24F2N2O — CID 114226716

IUPACN-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
SMILESCCC(CCN)CNC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-2-10(5-7-16)9-17-12(18)11-4-3-6-13(14,15)8-11/h10-11H,2-9,16H2,1H3,(H,17,18)
InChIKeyRNZOQPHKXCMSKA-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.30
Rot. Bonds6

About N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide

N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 114226716) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
PubChem CID114226716
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC NameN-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
SMILESCCC(CCN)CNC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-2-10(5-7-16)9-17-12(18)11-4-3-6-13(14,15)8-11/h10-11H,2-9,16H2,1H3,(H,17,18)
InChIKeyRNZOQPHKXCMSKA-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexanecarbonylpentadecylamine
CID 44398718
N-(cyclohexylmethyl)cyclohexanecarboxamide
CID 4051138
N-butylcyclohexanecarboxamide
CID 3544722
Octanamide, N-(5-amino-2-methylpentyl)-
CID 85630598
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
2-cyclohexyl-N-dodecylacetamide
CID 22978779
N-Butyl-2-ethylhexanamide
CID 24058
Octanamide, N-(5-amino-4-methylpentyl)-
CID 11107544
N-dodecylcyclohexanecarboxamide
CID 3730607
3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
N-(2-Ethylhexyl)trifluoroacetamide
CID 546371
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide (CID 114226716) is N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide is CCC(CCN)CNC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is RNZOQPHKXCMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-2-10(5-7-16)9-17-12(18)11-4-3-6-13(14,15)8-11/h10-11H,2-9,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide?
N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 114226716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).