1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine

C14H25N3O2 — CID 106580024

IUPAC1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1(C)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-12-11-17(7-4-8-18-3)13(15-12)16-14(2)5-9-19-10-6-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyADPFDJRPDOUVSO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds6

About 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine

1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine (PubChem CID 106580024) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
PubChem CID106580024
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1(C)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-12-11-17(7-4-8-18-3)13(15-12)16-14(2)5-9-19-10-6-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyADPFDJRPDOUVSO-UHFFFAOYSA-N
XLogP2.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine (CID 106580024) is 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine is COCCCn1cc(C)nc1NC1(C)CCOCC1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
The InChIKey is ADPFDJRPDOUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12-11-17(7-4-8-18-3)13(15-12)16-14(2)5-9-19-10-6-14/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine is sourced from PubChem (CID 106580024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).