5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C17H30N2O — CID 64790514

IUPAC5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ccc(N(C)CCCC(C)(CO)NC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)18-17(4,13-20)11-6-12-19(5)16-9-7-15(3)8-10-16/h7-10,14,18,20H,6,11-13H2,1-5H3
InChIKeyWROMMEDRTQGFAW-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.96
Rot. Bonds8

About 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64790514) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64790514
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ccc(N(C)CCCC(C)(CO)NC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)18-17(4,13-20)11-6-12-19(5)16-9-7-15(3)8-10-16/h7-10,14,18,20H,6,11-13H2,1-5H3
InChIKeyWROMMEDRTQGFAW-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64790514) is 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is Cc1ccc(N(C)CCCC(C)(CO)NC(C)C)cc1.
What is the InChIKey of 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is WROMMEDRTQGFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)18-17(4,13-20)11-6-12-19(5)16-9-7-15(3)8-10-16/h7-10,14,18,20H,6,11-13H2,1-5H3.
What are the key properties of 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64790514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).