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

C16H29N3O — CID 63026860

IUPAC2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C16H29N3O/c1-4-5-13-6-7-15(20)14(10-13)11-18(2)12-16-17-8-9-19(16)3/h8-9,13-15,20H,4-7,10-12H2,1-3H3
InChIKeyHZCIXBZVZKEESO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.43
Rot. Bonds6

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

2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 63026860) 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-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID63026860
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C16H29N3O/c1-4-5-13-6-7-15(20)14(10-13)11-18(2)12-16-17-8-9-19(16)3/h8-9,13-15,20H,4-7,10-12H2,1-3H3
InChIKeyHZCIXBZVZKEESO-UHFFFAOYSA-N
XLogP2.43
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.43
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-propylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol (CID 63026860) is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)Cc2nccn2C)C1.
What is the InChIKey of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is HZCIXBZVZKEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-5-13-6-7-15(20)14(10-13)11-18(2)12-16-17-8-9-19(16)3/h8-9,13-15,20H,4-7,10-12H2,1-3H3.
What are the key properties of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol?
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.43, 6 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-propylcyclohexan-1-ol is sourced from PubChem (CID 63026860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).