N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

C13H26N4O — CID 66133479

IUPACN-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1cncn1CC
InChIInChI=1S/C13H26N4O/c1-5-16-10-15-8-13(16)12(7-14)17(6-2)11(3)9-18-4/h8,10-12H,5-7,9,14H2,1-4H3
InChIKeyYTCRDEJGDLPFQX-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.26
Rot. Bonds8

About N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (PubChem CID 66133479) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
PubChem CID66133479
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1cncn1CC
InChIInChI=1S/C13H26N4O/c1-5-16-10-15-8-13(16)12(7-14)17(6-2)11(3)9-18-4/h8,10-12H,5-7,9,14H2,1-4H3
InChIKeyYTCRDEJGDLPFQX-UHFFFAOYSA-N
XLogP1.26
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 66135325
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66134912
N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 66132849
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66133270
N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82948271
N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134914
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 66133269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (CID 66133479) is N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is CCN(C(C)COC)C(CN)c1cncn1CC.
What is the InChIKey of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The InChIKey is YTCRDEJGDLPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-16-10-15-8-13(16)12(7-14)17(6-2)11(3)9-18-4/h8,10-12H,5-7,9,14H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 66133479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).