(1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol

C13H25NO — CID 10656140

IUPAC(1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol
SMILESC=CCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C13H25NO/c1-5-8-14-13(3,4)11-7-6-10(2)9-12(11)15/h5,10-12,14-15H,1,6-9H2,2-4H3/t10-,11-,12-/m1/s1
InChIKeyCRMNTVAEKRDTOG-IJLUTSLNSA-N
MW211.35 g/mol
LogP2.34
Rot. Bonds4

About (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol (PubChem CID 10656140) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol
PubChem CID10656140
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol
SMILESC=CCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C13H25NO/c1-5-8-14-13(3,4)11-7-6-10(2)9-12(11)15/h5,10-12,14-15H,1,6-9H2,2-4H3/t10-,11-,12-/m1/s1
InChIKeyCRMNTVAEKRDTOG-IJLUTSLNSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol (CID 10656140) is (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol is C=CCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The InChIKey is CRMNTVAEKRDTOG-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-8-14-13(3,4)11-7-6-10(2)9-12(11)15/h5,10-12,14-15H,1,6-9H2,2-4H3/t10-,11-,12-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-[2-(prop-2-enylamino)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10656140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).