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

C16H29N3O — CID 114535136

IUPAC2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCc2nccn2C)CCOC1C
InChIInChI=1S/C16H29N3O/c1-13(2)11-17-12-16(7-10-20-14(16)3)6-5-15-18-8-9-19(15)4/h8-9,13-14,17H,5-7,10-12H2,1-4H3
InChIKeyHSQRBTGITACXRM-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.39
Rot. Bonds7

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

2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 114535136) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID114535136
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCc2nccn2C)CCOC1C
InChIInChI=1S/C16H29N3O/c1-13(2)11-17-12-16(7-10-20-14(16)3)6-5-15-18-8-9-19(15)4/h8-9,13-14,17H,5-7,10-12H2,1-4H3
InChIKeyHSQRBTGITACXRM-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106101046
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095
2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole
CID 114532782
N-[[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535116
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535108
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535154
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 64664391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine (CID 114535136) is 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CCc2nccn2C)CCOC1C.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is HSQRBTGITACXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)11-17-12-16(7-10-20-14(16)3)6-5-15-18-8-9-19(15)4/h8-9,13-14,17H,5-7,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114535136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).