N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine

C16H29N3O — CID 107977782

IUPACN-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H29N3O/c1-7-8-17-14(13-10-19(6)11-18-13)12-9-15(2,3)20-16(12,4)5/h10-12,14,17H,7-9H2,1-6H3
InChIKeyGRGGMMPNLQMWOU-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.05
Rot. Bonds5

About N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine

N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 107977782) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID107977782
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H29N3O/c1-7-8-17-14(13-10-19(6)11-18-13)12-9-15(2,3)20-16(12,4)5/h10-12,14,17H,7-9H2,1-6H3
InChIKeyGRGGMMPNLQMWOU-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine with MolForge

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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-[(5-methylpyrazin-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105189181
(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107977785
N-[(3,5-dimethylcyclohexyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107975657
N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107976597
N-[(4-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622827
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105189225
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622846
N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 106858824
N-[(5-ethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052858
N-[(4,5-dimethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052718

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine (CID 107977782) is N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cn(C)cn1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is GRGGMMPNLQMWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-8-17-14(13-10-19(6)11-18-13)12-9-15(2,3)20-16(12,4)5/h10-12,14,17H,7-9H2,1-6H3.
What are the key properties of N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107977782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).