N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine

C14H25N3O — CID 113362140

IUPACN-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(CC1CCOC1)NC
InChIInChI=1S/C14H25N3O/c1-3-6-17-7-5-16-14(17)10-13(15-2)9-12-4-8-18-11-12/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3
InChIKeyOOBXTCXYDRXBIO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.85
Rot. Bonds7

About N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine

N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 113362140) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID113362140
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(CC1CCOC1)NC
InChIInChI=1S/C14H25N3O/c1-3-6-17-7-5-16-14(17)10-13(15-2)9-12-4-8-18-11-12/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3
InChIKeyOOBXTCXYDRXBIO-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103987063
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanol
CID 103986534

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine (CID 113362140) is N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(CC1CCOC1)NC.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is OOBXTCXYDRXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-17-7-5-16-14(17)10-13(15-2)9-12-4-8-18-11-12/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine?
N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 113362140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).