1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol

C13H25NO — CID 79177994

IUPAC1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(C=C(C)C)CC1
InChIInChI=1S/C13H25NO/c1-4-9-14-12-5-7-13(15,8-6-12)10-11(2)3/h10,12,14-15H,4-9H2,1-3H3
InChIKeyYSPAHEJMEVJTLN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol

1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol (PubChem CID 79177994) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol
PubChem CID79177994
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(C=C(C)C)CC1
InChIInChI=1S/C13H25NO/c1-4-9-14-12-5-7-13(15,8-6-12)10-11(2)3/h10,12,14-15H,4-9H2,1-3H3
InChIKeyYSPAHEJMEVJTLN-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol (CID 79177994) is 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(C=C(C)C)CC1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol?
The InChIKey is YSPAHEJMEVJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-9-14-12-5-7-13(15,8-6-12)10-11(2)3/h10,12,14-15H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol?
1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 79177994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).