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

C9H18N4 — CID 66130411

IUPACN-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)NC
InChIInChI=1S/C9H18N4/c1-3-4-13-7-12-6-9(13)8(5-10)11-2/h6-8,11H,3-5,10H2,1-2H3
InChIKeyHCTFNYDIIUBLCN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.51
Rot. Bonds5

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

N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66130411) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66130411
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)NC
InChIInChI=1S/C9H18N4/c1-3-4-13-7-12-6-9(13)8(5-10)11-2/h6-8,11H,3-5,10H2,1-2H3
InChIKeyHCTFNYDIIUBLCN-UHFFFAOYSA-N
XLogP0.51
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66130411) is N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)NC.
What is the InChIKey of N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is HCTFNYDIIUBLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-4-13-7-12-6-9(13)8(5-10)11-2/h6-8,11H,3-5,10H2,1-2H3.
What are the key properties of N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66130411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).