1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine

C15H30N4 — CID 79762134

IUPAC1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
SMILESCCNC(CCN(CC)CC)Cc1nccn1CC
InChIInChI=1S/C15H30N4/c1-5-16-14(9-11-18(6-2)7-3)13-15-17-10-12-19(15)8-4/h10,12,14,16H,5-9,11,13H2,1-4H3
InChIKeyYUGXXCVXDJAFIE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.16
Rot. Bonds10

About 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine

1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine (PubChem CID 79762134) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
PubChem CID79762134
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
SMILESCCNC(CCN(CC)CC)Cc1nccn1CC
InChIInChI=1S/C15H30N4/c1-5-16-14(9-11-18(6-2)7-3)13-15-17-10-12-19(15)8-4/h10,12,14,16H,5-9,11,13H2,1-4H3
InChIKeyYUGXXCVXDJAFIE-UHFFFAOYSA-N
XLogP2.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
CID 79760507
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315
1-N,1-N,3-N-triethyl-4-(2-methyl-1,2,4-triazol-3-yl)butane-1,3-diamine
CID 79086953
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
CID 79087528
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine (CID 79762134) is 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine is CCNC(CCN(CC)CC)Cc1nccn1CC.
What is the InChIKey of 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine?
The InChIKey is YUGXXCVXDJAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-16-14(9-11-18(6-2)7-3)13-15-17-10-12-19(15)8-4/h10,12,14,16H,5-9,11,13H2,1-4H3.
What are the key properties of 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine?
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine is sourced from PubChem (CID 79762134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).