(1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol

C15H29NO — CID 10561988

IUPAC(1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)=CCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C15H29NO/c1-11(2)8-9-16-15(4,5)13-7-6-12(3)10-14(13)17/h8,12-14,16-17H,6-7,9-10H2,1-5H3/t12-,13-,14-/m1/s1
InChIKeyYAINNFAJKZZDHK-MGPQQGTHSA-N
MW239.40 g/mol
LogP3.12
Rot. Bonds4

About (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol (PubChem CID 10561988) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol
PubChem CID10561988
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)=CCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C15H29NO/c1-11(2)8-9-16-15(4,5)13-7-6-12(3)10-14(13)17/h8,12-14,16-17H,6-7,9-10H2,1-5H3/t12-,13-,14-/m1/s1
InChIKeyYAINNFAJKZZDHK-MGPQQGTHSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol (CID 10561988) is (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol is CC(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-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The InChIKey is YAINNFAJKZZDHK-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)8-9-16-15(4,5)13-7-6-12(3)10-14(13)17/h8,12-14,16-17H,6-7,9-10H2,1-5H3/t12-,13-,14-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.12, 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-(3-methylbut-2-enylamino)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10561988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).