1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine

C15H27N3O — CID 115860071

IUPAC1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1nccn1C
InChIInChI=1S/C15H27N3O/c1-3-9-16-14(15-17-10-11-18(15)2)8-7-13-6-4-5-12-19-13/h10-11,13-14,16H,3-9,12H2,1-2H3
InChIKeyDAMFAGVPWMAFGU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.81
Rot. Bonds7

About 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine

1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine (PubChem CID 115860071) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
PubChem CID115860071
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1nccn1C
InChIInChI=1S/C15H27N3O/c1-3-9-16-14(15-17-10-11-18(15)2)8-7-13-6-4-5-12-19-13/h10-11,13-14,16H,3-9,12H2,1-2H3
InChIKeyDAMFAGVPWMAFGU-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 82903491
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 102803914
1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 115860150
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine (CID 115860071) is 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCCO1)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The InChIKey is DAMFAGVPWMAFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-9-16-14(15-17-10-11-18(15)2)8-7-13-6-4-5-12-19-13/h10-11,13-14,16H,3-9,12H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 115860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).