(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine

C11H22F2N2 — CID 59383015

IUPAC(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)C[C@@H](N)CC1CCC(F)(F)CC1
InChIInChI=1S/C11H22F2N2/c1-15(2)8-10(14)7-9-3-5-11(12,13)6-4-9/h9-10H,3-8,14H2,1-2H3/t10-/m0/s1
InChIKeyHKYHDLWOSNPACA-JTQLQIEISA-N
MW220.31 g/mol
LogP2.09
Rot. Bonds4

About (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine

(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 59383015) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID59383015
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)C[C@@H](N)CC1CCC(F)(F)CC1
InChIInChI=1S/C11H22F2N2/c1-15(2)8-10(14)7-9-3-5-11(12,13)6-4-9/h9-10H,3-8,14H2,1-2H3/t10-/m0/s1
InChIKeyHKYHDLWOSNPACA-JTQLQIEISA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Amino-1-cyclohexylethyl)dimethylamine
CID 16228005
[(2S)-2-amino-2-cyclohexylethyl]dimethylamine
CID 58598201
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
4-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28370940
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azetidin-3-amine
CID 66186588
3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 67189724
3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 67190119
3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine
CID 70326662
[(4,4-Difluorocyclohexyl)methyl](propan-2-yl)amine
CID 81931006

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 59383015) is (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine is CN(C)C[C@@H](N)CC1CCC(F)(F)CC1.
What is the InChIKey of (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is HKYHDLWOSNPACA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22F2N2/c1-15(2)8-10(14)7-9-3-5-11(12,13)6-4-9/h9-10H,3-8,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine?
(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 220.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 59383015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).