2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine

C10H22N4 — CID 115606316

IUPAC2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC1=NCCN1
InChIInChI=1S/C10H22N4/c1-4-14(5-2)8-9(3)13-10-11-6-7-12-10/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyZDPNPCICNMAVHQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.27
Rot. Bonds5

About 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine

2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 115606316) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID115606316
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC1=NCCN1
InChIInChI=1S/C10H22N4/c1-4-14(5-2)8-9(3)13-10-11-6-7-12-10/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyZDPNPCICNMAVHQ-UHFFFAOYSA-N
XLogP0.27
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 115606316) is 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NC1=NCCN1.
What is the InChIKey of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is ZDPNPCICNMAVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-4-14(5-2)8-9(3)13-10-11-6-7-12-10/h9H,4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 115606316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).