2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine

C14H25N3O — CID 114129923

IUPAC2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1CCC1CCOC1
InChIInChI=1S/C14H25N3O/c1-12(2)7-15-8-14-9-16-11-17(14)5-3-13-4-6-18-10-13/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyXRWUCUQDZCKSBO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.06
Rot. Bonds7

About 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 114129923) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID114129923
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1CCC1CCOC1
InChIInChI=1S/C14H25N3O/c1-12(2)7-15-8-14-9-16-11-17(14)5-3-13-4-6-18-10-13/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyXRWUCUQDZCKSBO-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
2-methyl-N-[[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79077837
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine
CID 114130067
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107165435
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 66135620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine (CID 114129923) is 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cncn1CCC1CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is XRWUCUQDZCKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)7-15-8-14-9-16-11-17(14)5-3-13-4-6-18-10-13/h9,11-13,15H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114129923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).