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

C12H24N4 — CID 66131396

IUPACN,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(CC)CC
InChIInChI=1S/C12H24N4/c1-4-7-16-10-14-9-12(16)11(8-13)15(5-2)6-3/h9-11H,4-8,13H2,1-3H3
InChIKeyWBAIPSTTWOAPKO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds7

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

N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66131396) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66131396
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(CC)CC
InChIInChI=1S/C12H24N4/c1-4-7-16-10-14-9-12(16)11(8-13)15(5-2)6-3/h9-11H,4-8,13H2,1-3H3
InChIKeyWBAIPSTTWOAPKO-UHFFFAOYSA-N
XLogP1.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66131396) is N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is WBAIPSTTWOAPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-7-16-10-14-9-12(16)11(8-13)15(5-2)6-3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66131396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).