5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol

C17H30N2O — CID 64789948

IUPAC5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-12-18-17(3,14-20)11-8-13-19(4)16-10-7-6-9-15(16)2/h6-7,9-10,18,20H,5,8,11-14H2,1-4H3
InChIKeyBFLQOTRKKCESOO-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.96
Rot. Bonds9

About 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol

5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64789948) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64789948
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-12-18-17(3,14-20)11-8-13-19(4)16-10-7-6-9-15(16)2/h6-7,9-10,18,20H,5,8,11-14H2,1-4H3
InChIKeyBFLQOTRKKCESOO-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790737
5-(N,2-dimethylanilino)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808938
4-(N,2-dimethylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64791132
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790140
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
2-(ethylamino)-6-(2-methoxy-N-methylanilino)-2-methylhexan-1-ol
CID 64790716
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790376
2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol
CID 64789346

Frequently Asked Questions

What is the IUPAC name of 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol (CID 64789948) is 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(C)c1ccccc1C.
What is the InChIKey of 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is BFLQOTRKKCESOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-12-18-17(3,14-20)11-8-13-19(4)16-10-7-6-9-15(16)2/h6-7,9-10,18,20H,5,8,11-14H2,1-4H3.
What are the key properties of 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64789948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).