N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine

C13H23N3O — CID 107978055

IUPACN-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-3-6-14-13(11-5-4-7-17-9-11)12-8-16(2)10-15-12/h8,10-11,13-14H,3-7,9H2,1-2H3
InChIKeyJWSMXGHJHICIBH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds5

About N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine

N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine (PubChem CID 107978055) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
PubChem CID107978055
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-3-6-14-13(11-5-4-7-17-9-11)12-8-16(2)10-15-12/h8,10-11,13-14H,3-7,9H2,1-2H3
InChIKeyJWSMXGHJHICIBH-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107976597
N-[(3,5-dimethylcyclohexyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107975657
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 107977782
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
CID 107138702
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine (CID 107978055) is N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine is CCCNC(c1cn(C)cn1)C1CCCOC1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is JWSMXGHJHICIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-14-13(11-5-4-7-17-9-11)12-8-16(2)10-15-12/h8,10-11,13-14H,3-7,9H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107978055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).