N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine

C12H24N4 — CID 66131979

IUPACN'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCn1cncc1CNCCN(C)CC
InChIInChI=1S/C12H24N4/c1-4-7-16-11-14-10-12(16)9-13-6-8-15(3)5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyLKDBWLUPXDHMCF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.33
Rot. Bonds8

About N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine

N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 66131979) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID66131979
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCn1cncc1CNCCN(C)CC
InChIInChI=1S/C12H24N4/c1-4-7-16-11-14-10-12(16)9-13-6-8-15(3)5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyLKDBWLUPXDHMCF-UHFFFAOYSA-N
XLogP1.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
N-ethyl-N-methyl-2-[5-(methylaminomethyl)imidazol-1-yl]ethanamine
CID 66149923
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
2-[(3-propylimidazol-4-yl)methylamino]ethanesulfonamide
CID 66135415
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
tert-butyl N-ethyl-N-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107245444
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 114185716

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine (CID 66131979) is N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine is CCCn1cncc1CNCCN(C)CC.
What is the InChIKey of N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is LKDBWLUPXDHMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-7-16-11-14-10-12(16)9-13-6-8-15(3)5-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 66131979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).