1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine

C12H23N3O — CID 115639642

IUPAC1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
SMILESCCCCC(COC)NCc1nccn1C
InChIInChI=1S/C12H23N3O/c1-4-5-6-11(10-16-3)14-9-12-13-7-8-15(12)2/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyUFYYVIRFNURUPB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.71
Rot. Bonds8

About 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine

1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine (PubChem CID 115639642) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
PubChem CID115639642
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
SMILESCCCCC(COC)NCc1nccn1C
InChIInChI=1S/C12H23N3O/c1-4-5-6-11(10-16-3)14-9-12-13-7-8-15(12)2/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyUFYYVIRFNURUPB-UHFFFAOYSA-N
XLogP1.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
CID 63292288
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115709297
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711534
1-(4-butoxyphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 118784639
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
2-[(1-methylimidazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 63293866
1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine
CID 115639638

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine?
The IUPAC name of 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine (CID 115639642) is 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine?
The canonical SMILES for 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine is CCCCC(COC)NCc1nccn1C.
What is the InChIKey of 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine?
The InChIKey is UFYYVIRFNURUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-6-11(10-16-3)14-9-12-13-7-8-15(12)2/h7-8,11,14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine?
1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine is sourced from PubChem (CID 115639642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).