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

C10H17N3O — CID 80562581

IUPAC3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
SMILESCn1ccnc1CC1(O)CCC(N)C1
InChIInChI=1S/C10H17N3O/c1-13-5-4-12-9(13)7-10(14)3-2-8(11)6-10/h4-5,8,14H,2-3,6-7,11H2,1H3
InChIKeyVUJXKEAKRUVONK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.20
Rot. Bonds2

About 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol

3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol (PubChem CID 80562581) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
PubChem CID80562581
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
SMILESCn1ccnc1CC1(O)CCC(N)C1
InChIInChI=1S/C10H17N3O/c1-13-5-4-12-9(13)7-10(14)3-2-8(11)6-10/h4-5,8,14H,2-3,6-7,11H2,1H3
InChIKeyVUJXKEAKRUVONK-UHFFFAOYSA-N
XLogP0.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114529231
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
CID 79744326
3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
CID 80562885
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 79743850
trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 154850428
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79743681
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol (CID 80562581) is 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol is Cn1ccnc1CC1(O)CCC(N)C1.
What is the InChIKey of 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is VUJXKEAKRUVONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-5-4-12-9(13)7-10(14)3-2-8(11)6-10/h4-5,8,14H,2-3,6-7,11H2,1H3.
What are the key properties of 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol?
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 80562581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).