2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine

C11H22N4 — CID 119111194

IUPAC2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNCc1ncc[nH]1
InChIInChI=1S/C11H22N4/c1-4-15(5-2)10(3)8-12-9-11-13-6-7-14-11/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyULUHTDKMYWQWCJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.23
Rot. Bonds7

About 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine

2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine (PubChem CID 119111194) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
PubChem CID119111194
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNCc1ncc[nH]1
InChIInChI=1S/C11H22N4/c1-4-15(5-2)10(3)8-12-9-11-13-6-7-14-11/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyULUHTDKMYWQWCJ-UHFFFAOYSA-N
XLogP1.23
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
CID 176673035
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine
CID 119110998

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine (CID 119111194) is 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine is CCN(CC)C(C)CNCc1ncc[nH]1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine?
The InChIKey is ULUHTDKMYWQWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-15(5-2)10(3)8-12-9-11-13-6-7-14-11/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,13,14).
What are the key properties of 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 119111194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).