(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C13H23N3O — CID 107977785

IUPAC(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCn1cnc(C(N)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C13H23N3O/c1-12(2)6-9(13(3,4)17-12)11(14)10-7-16(5)8-15-10/h7-9,11H,6,14H2,1-5H3
InChIKeyNTLGLQWIUFILKE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.01
Rot. Bonds2

About (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 107977785) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID107977785
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCn1cnc(C(N)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C13H23N3O/c1-12(2)6-9(13(3,4)17-12)11(14)10-7-16(5)8-15-10/h7-9,11H,6,14H2,1-5H3
InChIKeyNTLGLQWIUFILKE-UHFFFAOYSA-N
XLogP2.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114023285
N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 107977782
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623417
(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine
CID 105189143
cyclopentyl-(1-methylimidazol-4-yl)methanamine
CID 107973442
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(1-methylimidazol-4-yl)-(1,4-oxathian-2-yl)methanamine
CID 130509015
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 107977785) is (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is Cn1cnc(C(N)C2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is NTLGLQWIUFILKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)6-9(13(3,4)17-12)11(14)10-7-16(5)8-15-10/h7-9,11H,6,14H2,1-5H3.
What are the key properties of (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 107977785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).