3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine

C16H32N4 — CID 79762367

IUPAC3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
SMILESCCCn1ccnc1CC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H32N4/c1-7-11-20-12-10-18-15(20)13-14(17-4)16(8-2,9-3)19(5)6/h10,12,14,17H,7-9,11,13H2,1-6H3
InChIKeyRMVWQJYMEIKIEK-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.54
Rot. Bonds9

About 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine

3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine (PubChem CID 79762367) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
PubChem CID79762367
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
SMILESCCCn1ccnc1CC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H32N4/c1-7-11-20-12-10-18-15(20)13-14(17-4)16(8-2,9-3)19(5)6/h10,12,14,17H,7-9,11,13H2,1-6H3
InChIKeyRMVWQJYMEIKIEK-UHFFFAOYSA-N
XLogP2.54
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine
CID 79061867
3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 79752739
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062167
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105274225
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
CID 105167752

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine?
The IUPAC name of 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine (CID 79762367) is 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine?
The canonical SMILES for 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine is CCCn1ccnc1CC(NC)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine?
The InChIKey is RMVWQJYMEIKIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-11-20-12-10-18-15(20)13-14(17-4)16(8-2,9-3)19(5)6/h10,12,14,17H,7-9,11,13H2,1-6H3.
What are the key properties of 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine?
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine is sourced from PubChem (CID 79762367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).