2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine

C12H21N3O — CID 114704890

IUPAC2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CC1CCCOC1
InChIInChI=1S/C12H21N3O/c1-12(2,13)11-6-14-9-15(11)7-10-4-3-5-16-8-10/h6,9-10H,3-5,7-8,13H2,1-2H3
InChIKeyLRZYOSXAGGJKPO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds3

About 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine

2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine (PubChem CID 114704890) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
PubChem CID114704890
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CC1CCCOC1
InChIInChI=1S/C12H21N3O/c1-12(2,13)11-6-14-9-15(11)7-10-4-3-5-16-8-10/h6,9-10H,3-5,7-8,13H2,1-2H3
InChIKeyLRZYOSXAGGJKPO-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine
CID 66149687
(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942562
(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942924
N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine
CID 114130067
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
CID 114706508
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114707763
1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421223
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
CID 114719966
3-ethyl-1-(oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042333
3-methyl-1-(oxan-3-ylmethyl)pyrazole
CID 130610539
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine (CID 114704890) is 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1CC1CCCOC1.
What is the InChIKey of 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is LRZYOSXAGGJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,13)11-6-14-9-15(11)7-10-4-3-5-16-8-10/h6,9-10H,3-5,7-8,13H2,1-2H3.
What are the key properties of 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine?
2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114704890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).