N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

C10H18F2N4 — CID 115406189

IUPACN-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)NCC(F)F
InChIInChI=1S/C10H18F2N4/c1-2-3-16-7-14-5-9(16)8(4-13)15-6-10(11)12/h5,7-8,10,15H,2-4,6,13H2,1H3
InChIKeyIHLSJNJCOAPVBN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.15
Rot. Bonds7

About N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 115406189) has the molecular formula C10H18F2N4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID115406189
Molecular FormulaC10H18F2N4
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC NameN-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)NCC(F)F
InChIInChI=1S/C10H18F2N4/c1-2-3-16-7-14-5-9(16)8(4-13)15-6-10(11)12/h5,7-8,10,15H,2-4,6,13H2,1H3
InChIKeyIHLSJNJCOAPVBN-UHFFFAOYSA-N
XLogP1.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411
N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 115406311
N-cyclopropyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130610
N-but-3-yn-2-yl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 114416282
N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 114545027
N-(2,6-dimethylpiperidin-1-yl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 83012056
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129614
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66133270
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
1-(3-ethylimidazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106227949

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 115406189) is N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is IHLSJNJCOAPVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4/c1-2-3-16-7-14-5-9(16)8(4-13)15-6-10(11)12/h5,7-8,10,15H,2-4,6,13H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 232.28 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115406189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).