N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine

C14H26N4O — CID 63025655

IUPACN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2nccn2C)CCOC1
InChIInChI=1S/C14H26N4O/c1-4-15-10-14(5-8-19-12-14)11-17(2)9-13-16-6-7-18(13)3/h6-7,15H,4-5,8-12H2,1-3H3
InChIKeyPJHYMEGTFCXCQX-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.87
Rot. Bonds7

About N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 63025655) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID63025655
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2nccn2C)CCOC1
InChIInChI=1S/C14H26N4O/c1-4-15-10-14(5-8-19-12-14)11-17(2)9-13-16-6-7-18(13)3/h6-7,15H,4-5,8-12H2,1-3H3
InChIKeyPJHYMEGTFCXCQX-UHFFFAOYSA-N
XLogP0.87
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741934
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62391166
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
CID 55056002
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140311
N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
CID 77071596
N-[[3-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-3-yl]methyl]ethanamine
CID 63739772
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine (CID 63025655) is N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN(C)Cc2nccn2C)CCOC1.
What is the InChIKey of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is PJHYMEGTFCXCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-15-10-14(5-8-19-12-14)11-17(2)9-13-16-6-7-18(13)3/h6-7,15H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63025655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).