N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

C14H25N3O — CID 98323777

IUPACN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCC(C)n1cncc1CN(C)C[C@H]1CCCCO1
InChIInChI=1S/C14H25N3O/c1-12(2)17-11-15-8-13(17)9-16(3)10-14-6-4-5-7-18-14/h8,11-12,14H,4-7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyCURFCNGYWMPDBH-CQSZACIVSA-N
MW251.37 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (PubChem CID 98323777) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
PubChem CID98323777
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCC(C)n1cncc1CN(C)C[C@H]1CCCCO1
InChIInChI=1S/C14H25N3O/c1-12(2)17-11-15-8-13(17)9-16(3)10-14-6-4-5-7-18-14/h8,11-12,14H,4-7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyCURFCNGYWMPDBH-CQSZACIVSA-N
XLogP2.46
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (CID 98323777) is N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is CC(C)n1cncc1CN(C)C[C@H]1CCCCO1.
What is the InChIKey of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The InChIKey is CURFCNGYWMPDBH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)17-11-15-8-13(17)9-16(3)10-14-6-4-5-7-18-14/h8,11-12,14H,4-7,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 98323777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).