N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine

C14H25N3O — CID 79606983

IUPACN-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine
SMILESCCCn1ccnc1C(C)=CCCNCCOC
InChIInChI=1S/C14H25N3O/c1-4-10-17-11-8-16-14(17)13(2)6-5-7-15-9-12-18-3/h6,8,11,15H,4-5,7,9-10,12H2,1-3H3
InChIKeyBICKJIGGPIYMOK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.32
Rot. Bonds9

About N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine

N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine (PubChem CID 79606983) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine
PubChem CID79606983
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine
SMILESCCCn1ccnc1C(C)=CCCNCCOC
InChIInChI=1S/C14H25N3O/c1-4-10-17-11-8-16-14(17)13(2)6-5-7-15-9-12-18-3/h6,8,11,15H,4-5,7,9-10,12H2,1-3H3
InChIKeyBICKJIGGPIYMOK-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine (CID 79606983) is N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine is CCCn1ccnc1C(C)=CCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine?
The InChIKey is BICKJIGGPIYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-10-17-11-8-16-14(17)13(2)6-5-7-15-9-12-18-3/h6,8,11,15H,4-5,7,9-10,12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine?
N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 79606983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).