2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol

C16H29N3O — CID 63027033

IUPAC2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)13-5-6-15(20)14(9-13)10-18(3)11-16-17-7-8-19(16)4/h7-8,12-15,20H,5-6,9-11H2,1-4H3
InChIKeyURWMILBXQYDHGY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.29
Rot. Bonds5

About 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63027033) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID63027033
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)13-5-6-15(20)14(9-13)10-18(3)11-16-17-7-8-19(16)4/h7-8,12-15,20H,5-6,9-11H2,1-4H3
InChIKeyURWMILBXQYDHGY-UHFFFAOYSA-N
XLogP2.29
TPSA41.29 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 63027033) is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN(C)Cc2nccn2C)C1.
What is the InChIKey of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is URWMILBXQYDHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)13-5-6-15(20)14(9-13)10-18(3)11-16-17-7-8-19(16)4/h7-8,12-15,20H,5-6,9-11H2,1-4H3.
What are the key properties of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63027033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).