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

C11H20N4 — CID 66134488

IUPACN-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)C1CC1
InChIInChI=1S/C11H20N4/c1-3-15-8-13-7-11(15)10(6-12)14(2)9-4-5-9/h7-10H,3-6,12H2,1-2H3
InChIKeySTGXFEJOGPUMEL-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.00
Rot. Bonds5

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

N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine (PubChem CID 66134488) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
PubChem CID66134488
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)C1CC1
InChIInChI=1S/C11H20N4/c1-3-15-8-13-7-11(15)10(6-12)14(2)9-4-5-9/h7-10H,3-6,12H2,1-2H3
InChIKeySTGXFEJOGPUMEL-UHFFFAOYSA-N
XLogP1.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine (CID 66134488) is N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine is CCn1cncc1C(CN)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is STGXFEJOGPUMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-15-8-13-7-11(15)10(6-12)14(2)9-4-5-9/h7-10H,3-6,12H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 66134488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).