trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol

C10H17N3O — CID 154850428

IUPACtrans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol
SMILESCn1ccnc1[C@@]1(O)CCC[C@H](N)C1
InChIInChI=1S/C10H17N3O/c1-13-6-5-12-9(13)10(14)4-2-3-8(11)7-10/h5-6,8,14H,2-4,7,11H2,1H3/t8-,10+/m0/s1
InChIKeyIDGMTYMIAMKTIR-WCBMZHEXSA-N
MW195.27 g/mol
LogP0.51
Rot. Bonds1

About trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol

trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol (PubChem CID 154850428) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol
PubChem CID154850428
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nametrans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol
SMILESCn1ccnc1[C@@]1(O)CCC[C@H](N)C1
InChIInChI=1S/C10H17N3O/c1-13-6-5-12-9(13)10(14)4-2-3-8(11)7-10/h5-6,8,14H,2-4,7,11H2,1H3/t8-,10+/m0/s1
InChIKeyIDGMTYMIAMKTIR-WCBMZHEXSA-N
XLogP0.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol (CID 154850428) is trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol is Cn1ccnc1[C@@]1(O)CCC[C@H](N)C1.
What is the InChIKey of trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol?
The InChIKey is IDGMTYMIAMKTIR-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-5-12-9(13)10(14)4-2-3-8(11)7-10/h5-6,8,14H,2-4,7,11H2,1H3/t8-,10+/m0/s1.
What are the key properties of trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol?
trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 154850428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).