1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol

C12H21N3O — CID 65210949

IUPAC1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCn1ccnc1CCNCC1(O)CCCC1
InChIInChI=1S/C12H21N3O/c1-15-9-8-14-11(15)4-7-13-10-12(16)5-2-3-6-12/h8-9,13,16H,2-7,10H2,1H3
InChIKeyLGSCHWNSKIKKEA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.86
Rot. Bonds5

About 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol

1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65210949) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65210949
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCn1ccnc1CCNCC1(O)CCCC1
InChIInChI=1S/C12H21N3O/c1-15-9-8-14-11(15)4-7-13-10-12(16)5-2-3-6-12/h8-9,13,16H,2-7,10H2,1H3
InChIKeyLGSCHWNSKIKKEA-UHFFFAOYSA-N
XLogP0.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 55202674
2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106101046
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 114527749

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol (CID 65210949) is 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol is Cn1ccnc1CCNCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is LGSCHWNSKIKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-9-8-14-11(15)4-7-13-10-12(16)5-2-3-6-12/h8-9,13,16H,2-7,10H2,1H3.
What are the key properties of 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).