4-(N,4-dimethylanilino)cyclohexan-1-ol

C14H21NO — CID 114762541

IUPAC4-(N,4-dimethylanilino)cyclohexan-1-ol
SMILESCc1ccc(N(C)C2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)15(2)13-7-9-14(16)10-8-13/h3-6,13-14,16H,7-10H2,1-2H3
InChIKeyRYAXGHXGTITQLS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds2

About 4-(N,4-dimethylanilino)cyclohexan-1-ol

4-(N,4-dimethylanilino)cyclohexan-1-ol (PubChem CID 114762541) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(N,4-dimethylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(N,4-dimethylanilino)cyclohexan-1-ol
PubChem CID114762541
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(N,4-dimethylanilino)cyclohexan-1-ol
SMILESCc1ccc(N(C)C2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)15(2)13-7-9-14(16)10-8-13/h3-6,13-14,16H,7-10H2,1-2H3
InChIKeyRYAXGHXGTITQLS-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N,4-dimethylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(N,4-dimethylanilino)cyclohexan-1-ol (CID 114762541) is 4-(N,4-dimethylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(N,4-dimethylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(N,4-dimethylanilino)cyclohexan-1-ol is Cc1ccc(N(C)C2CCC(O)CC2)cc1.
What is the InChIKey of 4-(N,4-dimethylanilino)cyclohexan-1-ol?
The InChIKey is RYAXGHXGTITQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)15(2)13-7-9-14(16)10-8-13/h3-6,13-14,16H,7-10H2,1-2H3.
What are the key properties of 4-(N,4-dimethylanilino)cyclohexan-1-ol?
4-(N,4-dimethylanilino)cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,4-dimethylanilino)cyclohexan-1-ol is sourced from PubChem (CID 114762541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).