(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine

C10H20F2N2 — CID 104867709

IUPAC(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
SMILESC[C@@H](CN)NCC1CCC(F)(F)CC1
InChIInChI=1S/C10H20F2N2/c1-8(6-13)14-7-9-2-4-10(11,12)5-3-9/h8-9,14H,2-7,13H2,1H3/t8-/m0/s1
InChIKeyXIVKWGWHHWKWHT-QMMMGPOBSA-N
MW206.28 g/mol
LogP1.75
Rot. Bonds4

About (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine

(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine (PubChem CID 104867709) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
PubChem CID104867709
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
SMILESC[C@@H](CN)NCC1CCC(F)(F)CC1
InChIInChI=1S/C10H20F2N2/c1-8(6-13)14-7-9-2-4-10(11,12)5-3-9/h8-9,14H,2-7,13H2,1H3/t8-/m0/s1
InChIKeyXIVKWGWHHWKWHT-QMMMGPOBSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 11506560
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine hydrochloride
CID 86011900
rac-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
trans-Cyclohexyldiethylenetriamine
CID 129720916
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine (CID 104867709) is (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine is C[C@@H](CN)NCC1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine?
The InChIKey is XIVKWGWHHWKWHT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(6-13)14-7-9-2-4-10(11,12)5-3-9/h8-9,14H,2-7,13H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine?
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine has a molecular weight of 206.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).