N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine

C14H27N3 — CID 79752910

IUPACN-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-9-17-10-8-16-13(17)11-12(15-7-2)14(3,4)5/h8,10,12,15H,6-7,9,11H2,1-5H3
InChIKeyMUAQMDKJXJRMJF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine

N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine (PubChem CID 79752910) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
PubChem CID79752910
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(NCC)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-6-9-17-10-8-16-13(17)11-12(15-7-2)14(3,4)5/h8,10,12,15H,6-7,9,11H2,1-5H3
InChIKeyMUAQMDKJXJRMJF-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
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
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
1-(5-bromofuran-2-yl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012510
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine (CID 79752910) is N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine is CCCn1ccnc1CC(NCC)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The InChIKey is MUAQMDKJXJRMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-9-17-10-8-16-13(17)11-12(15-7-2)14(3,4)5/h8,10,12,15H,6-7,9,11H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79752910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).