1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine

C14H25N3O2 — CID 106581481

IUPAC1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCC1(OC)CCOC1
InChIInChI=1S/C14H25N3O2/c1-4-5-7-17-9-12(2)16-13(17)15-10-14(18-3)6-8-19-11-14/h9H,4-8,10-11H2,1-3H3,(H,15,16)
InChIKeyKNZUUKOAHGYQNT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds7

About 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine

1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine (PubChem CID 106581481) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
PubChem CID106581481
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCC1(OC)CCOC1
InChIInChI=1S/C14H25N3O2/c1-4-5-7-17-9-12(2)16-13(17)15-10-14(18-3)6-8-19-11-14/h9H,4-8,10-11H2,1-3H3,(H,15,16)
InChIKeyKNZUUKOAHGYQNT-UHFFFAOYSA-N
XLogP2.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine (CID 106581481) is 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine is CCCCn1cc(C)nc1NCC1(OC)CCOC1.
What is the InChIKey of 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The InChIKey is KNZUUKOAHGYQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-7-17-9-12(2)16-13(17)15-10-14(18-3)6-8-19-11-14/h9H,4-8,10-11H2,1-3H3,(H,15,16).
What are the key properties of 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106581481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).