N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine

C15H29N3O — CID 105167661

IUPACN-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCOCCC(Cc1nccn1CCC)NCC
InChIInChI=1S/C15H29N3O/c1-4-9-18-10-8-17-15(18)13-14(16-6-3)7-12-19-11-5-2/h8,10,14,16H,4-7,9,11-13H2,1-3H3
InChIKeyFUHRZRUCUYVPIO-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.63
Rot. Bonds11

About N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine

N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine (PubChem CID 105167661) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
PubChem CID105167661
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCOCCC(Cc1nccn1CCC)NCC
InChIInChI=1S/C15H29N3O/c1-4-9-18-10-8-17-15(18)13-14(16-6-3)7-12-19-11-5-2/h8,10,14,16H,4-7,9,11-13H2,1-3H3
InChIKeyFUHRZRUCUYVPIO-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509
[1-(1-ethylimidazol-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105321842
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167779
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine (CID 105167661) is N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine is CCCOCCC(Cc1nccn1CCC)NCC.
What is the InChIKey of N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
The InChIKey is FUHRZRUCUYVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-9-18-10-8-17-15(18)13-14(16-6-3)7-12-19-11-5-2/h8,10,14,16H,4-7,9,11-13H2,1-3H3.
What are the key properties of N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine?
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 105167661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).