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

C14H27NO — CID 10727909

IUPAC(1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol
SMILESC=C(C)CNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C14H27NO/c1-10(2)9-15-14(4,5)12-7-6-11(3)8-13(12)16/h11-13,15-16H,1,6-9H2,2-5H3/t11-,12-,13-/m1/s1
InChIKeyRVADBJWNDZPJFS-JHJVBQTASA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds4

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

(1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol (PubChem CID 10727909) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol
PubChem CID10727909
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol
SMILESC=C(C)CNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C14H27NO/c1-10(2)9-15-14(4,5)12-7-6-11(3)8-13(12)16/h11-13,15-16H,1,6-9H2,2-5H3/t11-,12-,13-/m1/s1
InChIKeyRVADBJWNDZPJFS-JHJVBQTASA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.73
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-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol (CID 10727909) is (1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol is C=C(C)CNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
The InChIKey is RVADBJWNDZPJFS-JHJVBQTASA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)9-15-14(4,5)12-7-6-11(3)8-13(12)16/h11-13,15-16H,1,6-9H2,2-5H3/t11-,12-,13-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 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-(2-methylprop-2-enylamino)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10727909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).