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

C14H28N4 — CID 63024794

IUPAC2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1nccn1C
InChIInChI=1S/C14H28N4/c1-6-14(7-2,11-15-3)12-17(4)10-13-16-8-9-18(13)5/h8-9,15H,6-7,10-12H2,1-5H3
InChIKeyPUCPUJPGKJSNFM-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.88
Rot. Bonds8

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

2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 63024794) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
PubChem CID63024794
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1nccn1C
InChIInChI=1S/C14H28N4/c1-6-14(7-2,11-15-3)12-17(4)10-13-16-8-9-18(13)5/h8-9,15H,6-7,10-12H2,1-5H3
InChIKeyPUCPUJPGKJSNFM-UHFFFAOYSA-N
XLogP1.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 63024969
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 63026829
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
CID 63024609
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
2-cyclopropyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propylamino)propan-1-ol
CID 64789493
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63026818
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (CID 63024794) is 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is CCC(CC)(CNC)CN(C)Cc1nccn1C.
What is the InChIKey of 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is PUCPUJPGKJSNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-14(7-2,11-15-3)12-17(4)10-13-16-8-9-18(13)5/h8-9,15H,6-7,10-12H2,1-5H3.
What are the key properties of 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).