N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine

C16H30N4O — CID 63741934

IUPACN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2nccn2C)CCCOC1
InChIInChI=1S/C16H30N4O/c1-14(2)18-11-16(6-5-9-21-13-16)12-19(3)10-15-17-7-8-20(15)4/h7-8,14,18H,5-6,9-13H2,1-4H3
InChIKeyWPUGVTWJBYKJLA-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.65
Rot. Bonds7

About N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine

N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine (PubChem CID 63741934) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
PubChem CID63741934
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2nccn2C)CCCOC1
InChIInChI=1S/C16H30N4O/c1-14(2)18-11-16(6-5-9-21-13-16)12-19(3)10-15-17-7-8-20(15)4/h7-8,14,18H,5-6,9-13H2,1-4H3
InChIKeyWPUGVTWJBYKJLA-UHFFFAOYSA-N
XLogP1.65
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63025655
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
CID 63965868
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 70788942
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
CID 103191393
N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
CID 77071596

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine (CID 63741934) is N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)Cc2nccn2C)CCCOC1.
What is the InChIKey of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The InChIKey is WPUGVTWJBYKJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-14(2)18-11-16(6-5-9-21-13-16)12-19(3)10-15-17-7-8-20(15)4/h7-8,14,18H,5-6,9-13H2,1-4H3.
What are the key properties of N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine?
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 1.65, 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]oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63741934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).