N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine

C14H25N3O2 — CID 77096923

IUPACN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCOCCn1ccnc1CN(C)CC1CCOCC1
InChIInChI=1S/C14H25N3O2/c1-16(11-13-3-8-19-9-4-13)12-14-15-5-6-17(14)7-10-18-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyFCSMQNMVSAWCPO-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.39
Rot. Bonds7

About N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine

N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 77096923) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID77096923
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCOCCn1ccnc1CN(C)CC1CCOCC1
InChIInChI=1S/C14H25N3O2/c1-16(11-13-3-8-19-9-4-13)12-14-15-5-6-17(14)7-10-18-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyFCSMQNMVSAWCPO-UHFFFAOYSA-N
XLogP1.39
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine (CID 77096923) is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine is COCCn1ccnc1CN(C)CC1CCOCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is FCSMQNMVSAWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16(11-13-3-8-19-9-4-13)12-14-15-5-6-17(14)7-10-18-2/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 77096923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).