1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine

C16H32N4 — CID 79760507

IUPAC1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1nccn1CC
InChIInChI=1S/C16H32N4/c1-5-10-17-15(9-12-19(6-2)7-3)14-16-18-11-13-20(16)8-4/h11,13,15,17H,5-10,12,14H2,1-4H3
InChIKeyCUSVXNGIAURZNY-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.55
Rot. Bonds11

About 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine

1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine (PubChem CID 79760507) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
PubChem CID79760507
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1nccn1CC
InChIInChI=1S/C16H32N4/c1-5-10-17-15(9-12-19(6-2)7-3)14-16-18-11-13-20(16)8-4/h11,13,15,17H,5-10,12,14H2,1-4H3
InChIKeyCUSVXNGIAURZNY-UHFFFAOYSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028538
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719464
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708
N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
CID 79087528

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine (CID 79760507) is 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine is CCCNC(CCN(CC)CC)Cc1nccn1CC.
What is the InChIKey of 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine?
The InChIKey is CUSVXNGIAURZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-5-10-17-15(9-12-19(6-2)7-3)14-16-18-11-13-20(16)8-4/h11,13,15,17H,5-10,12,14H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine?
1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.55, 11 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-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79760507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).