N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

C13H24N4O — CID 66134912

IUPACN-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(CCOC)C1CC1
InChIInChI=1S/C13H24N4O/c1-3-16-10-15-9-13(16)12(8-14)17(6-7-18-2)11-4-5-11/h9-12H,3-8,14H2,1-2H3
InChIKeyQMKXQGWGNBCNCR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.01
Rot. Bonds8

About N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 66134912) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID66134912
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(CCOC)C1CC1
InChIInChI=1S/C13H24N4O/c1-3-16-10-15-9-13(16)12(8-14)17(6-7-18-2)11-4-5-11/h9-12H,3-8,14H2,1-2H3
InChIKeyQMKXQGWGNBCNCR-UHFFFAOYSA-N
XLogP1.01
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 66135325
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66133479
1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 66133269
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937078
N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 66132849
N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 79026972
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66133270
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679
N-cyclopropyl-N-(2-methoxyethyl)-1-phenylpropane-1,3-diamine
CID 62780206
N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54976934
N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82948271

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 66134912) is N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is CCn1cncc1C(CN)N(CCOC)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is QMKXQGWGNBCNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-16-10-15-9-13(16)12(8-14)17(6-7-18-2)11-4-5-11/h9-12H,3-8,14H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 66134912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).