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

C10H18F2N4 — CID 115406311

IUPACN-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)NCC(F)F
InChIInChI=1S/C10H18F2N4/c1-7(2)16-6-14-4-9(16)8(3-13)15-5-10(11)12/h4,6-8,10,15H,3,5,13H2,1-2H3
InChIKeyPEYNSRXMTYJFFW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.32
Rot. Bonds6

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

N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 115406311) has the molecular formula C10H18F2N4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID115406311
Molecular FormulaC10H18F2N4
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC NameN-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)NCC(F)F
InChIInChI=1S/C10H18F2N4/c1-7(2)16-6-14-4-9(16)8(3-13)15-5-10(11)12/h4,6-8,10,15H,3,5,13H2,1-2H3
InChIKeyPEYNSRXMTYJFFW-UHFFFAOYSA-N
XLogP1.32
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3614
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N-ethylhistamine
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2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
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2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
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N(tele)-methylhistaminium
CID 25245502
2-(1-Isopropyl-1H-imidazol-5-yl)ethanamine
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Histamine, 2-trifluoromethyl-
CID 591273
N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine
CID 20597092
2-(1-Allyl-1H-imidazol-4-yl)ethanamine
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2-(1-Methyl-1H-imidazol-5-yl)ethanamine hydrochloride
CID 45157688

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 115406311) is N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is CC(C)n1cncc1C(CN)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is PEYNSRXMTYJFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4/c1-7(2)16-6-14-4-9(16)8(3-13)15-5-10(11)12/h4,6-8,10,15H,3,5,13H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 232.28 g/mol, XLogP of 1.32, 6 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-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115406311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).