1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C14H25N3O — CID 82903491

IUPAC1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cncn1C
InChIInChI=1S/C14H25N3O/c1-3-8-16-13(14-10-15-11-17(14)2)7-6-12-5-4-9-18-12/h10-13,16H,3-9H2,1-2H3
InChIKeyNDWMNHRQQGMGHT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.42
Rot. Bonds7

About 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 82903491) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID82903491
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cncn1C
InChIInChI=1S/C14H25N3O/c1-3-8-16-13(14-10-15-11-17(14)2)7-6-12-5-4-9-18-12/h10-13,16H,3-9H2,1-2H3
InChIKeyNDWMNHRQQGMGHT-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 102803914
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115860071
1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903
1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 102803909
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 82903491) is 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is NDWMNHRQQGMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-8-16-13(14-10-15-11-17(14)2)7-6-12-5-4-9-18-12/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 82903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).