(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol

C15H29NO — CID 70227186

IUPAC(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
SMILESCC(C)CCCNC(C)[C@H](O)[C@H]1C=CCCC1
InChIInChI=1S/C15H29NO/c1-12(2)8-7-11-16-13(3)15(17)14-9-5-4-6-10-14/h5,9,12-17H,4,6-8,10-11H2,1-3H3/t13?,14-,15-/m0/s1
InChIKeyCRVXMEUIDYWABP-FGRDXJNISA-N
MW239.40 g/mol
LogP3.12
Rot. Bonds7

About (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol

(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol (PubChem CID 70227186) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
PubChem CID70227186
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
SMILESCC(C)CCCNC(C)[C@H](O)[C@H]1C=CCCC1
InChIInChI=1S/C15H29NO/c1-12(2)8-7-11-16-13(3)15(17)14-9-5-4-6-10-14/h5,9,12-17H,4,6-8,10-11H2,1-3H3/t13?,14-,15-/m0/s1
InChIKeyCRVXMEUIDYWABP-FGRDXJNISA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol?
The IUPAC name of (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol (CID 70227186) is (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol.
What is the SMILES notation for (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol?
The canonical SMILES for (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol is CC(C)CCCNC(C)[C@H](O)[C@H]1C=CCCC1.
What is the InChIKey of (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol?
The InChIKey is CRVXMEUIDYWABP-FGRDXJNISA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)8-7-11-16-13(3)15(17)14-9-5-4-6-10-14/h5,9,12-17H,4,6-8,10-11H2,1-3H3/t13?,14-,15-/m0/s1.
What are the key properties of (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol?
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol is sourced from PubChem (CID 70227186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).