1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine

C14H27N3O — CID 79752808

IUPAC1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)Cc1nccn1CC
InChIInChI=1S/C14H27N3O/c1-4-7-15-13(12-18-10-5-2)11-14-16-8-9-17(14)6-3/h8-9,13,15H,4-7,10-12H2,1-3H3
InChIKeyYPZYUYANLVMDHV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.24
Rot. Bonds10

About 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine

1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine (PubChem CID 79752808) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
PubChem CID79752808
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)Cc1nccn1CC
InChIInChI=1S/C14H27N3O/c1-4-7-15-13(12-18-10-5-2)11-14-16-8-9-17(14)6-3/h8-9,13,15H,4-7,10-12H2,1-3H3
InChIKeyYPZYUYANLVMDHV-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.24
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

N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028538
[1-(1-ethylimidazol-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105321842
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
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)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
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
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719464
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine (CID 79752808) is 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine is CCCNC(COCCC)Cc1nccn1CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine?
The InChIKey is YPZYUYANLVMDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-15-13(12-18-10-5-2)11-14-16-8-9-17(14)6-3/h8-9,13,15H,4-7,10-12H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine?
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine is sourced from PubChem (CID 79752808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).