2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C14H28N4 — CID 106564821

IUPAC2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCn1cc(C)nc1NC(CC(C)C)CN(C)C
InChIInChI=1S/C14H28N4/c1-7-18-9-12(4)15-14(18)16-13(8-11(2)3)10-17(5)6/h9,11,13H,7-8,10H2,1-6H3,(H,15,16)
InChIKeyWCNUYUSUNWQRQQ-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.60
Rot. Bonds7

About 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 106564821) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID106564821
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCn1cc(C)nc1NC(CC(C)C)CN(C)C
InChIInChI=1S/C14H28N4/c1-7-18-9-12(4)15-14(18)16-13(8-11(2)3)10-17(5)6/h9,11,13H,7-8,10H2,1-6H3,(H,15,16)
InChIKeyWCNUYUSUNWQRQQ-UHFFFAOYSA-N
XLogP2.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine
CID 106564923
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
CID 62940940
1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
CID 106574492
1-ethyl-4-methyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562046
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 105362544
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80808240
2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62961188
1-ethyl-N,N,4-trimethylimidazol-2-amine
CID 117189633
1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
CID 107544009

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 106564821) is 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CCn1cc(C)nc1NC(CC(C)C)CN(C)C.
What is the InChIKey of 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is WCNUYUSUNWQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-18-9-12(4)15-14(18)16-13(8-11(2)3)10-17(5)6/h9,11,13H,7-8,10H2,1-6H3,(H,15,16).
What are the key properties of 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 106564821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).