1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine

C12H24N4 — CID 63378660

IUPAC1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cncn1C
InChIInChI=1S/C12H24N4/c1-5-16(6-2)9-11(3)14-8-12-7-13-10-15(12)4/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeyJTZZDSGROSRFJW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds7

About 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine

1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 63378660) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
PubChem CID63378660
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cncn1C
InChIInChI=1S/C12H24N4/c1-5-16(6-2)9-11(3)14-8-12-7-13-10-15(12)4/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeyJTZZDSGROSRFJW-UHFFFAOYSA-N
XLogP1.24
TPSA33.09 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 103510869
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
CID 63002220
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79166678
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine (CID 63378660) is 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine is CCN(CC)CC(C)NCc1cncn1C.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is JTZZDSGROSRFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-16(6-2)9-11(3)14-8-12-7-13-10-15(12)4/h7,10-11,14H,5-6,8-9H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine?
1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 63378660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).