N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide

C12H22F2N2O — CID 114226715

IUPACN-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
SMILESCC(CCCN)NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C12H22F2N2O/c1-9(4-3-7-15)16-11(17)10-5-2-6-12(13,14)8-10/h9-10H,2-8,15H2,1H3,(H,16,17)
InChIKeyRLEBNZDNLJHMHX-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.06
Rot. Bonds5

About N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide

N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 114226715) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
PubChem CID114226715
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC NameN-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
SMILESCC(CCCN)NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C12H22F2N2O/c1-9(4-3-7-15)16-11(17)10-5-2-6-12(13,14)8-10/h9-10H,2-8,15H2,1H3,(H,16,17)
InChIKeyRLEBNZDNLJHMHX-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226310
N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226716
4-amino-2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 114226143
2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 114226173
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
2-[(3,3-difluorocyclohexanecarbonyl)amino]pent-4-ynoic acid
CID 114226223
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
N-(4-chlorobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 83180012
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide (CID 114226715) is N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide is CC(CCCN)NC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is RLEBNZDNLJHMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-9(4-3-7-15)16-11(17)10-5-2-6-12(13,14)8-10/h9-10H,2-8,15H2,1H3,(H,16,17).
What are the key properties of N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 248.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 114226715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).