5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol

C15H26N2O — CID 107201156

IUPAC5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
SMILESCNCc1ccc(N(C)CCCCCO)cc1C
InChIInChI=1S/C15H26N2O/c1-13-11-15(8-7-14(13)12-16-2)17(3)9-5-4-6-10-18/h7-8,11,16,18H,4-6,9-10,12H2,1-3H3
InChIKeyPRXBJYNZQXKCAH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.31
Rot. Bonds8

About 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol

5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol (PubChem CID 107201156) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol.

Molecular Properties

Compound Name5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
PubChem CID107201156
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
SMILESCNCc1ccc(N(C)CCCCCO)cc1C
InChIInChI=1S/C15H26N2O/c1-13-11-15(8-7-14(13)12-16-2)17(3)9-5-4-6-10-18/h7-8,11,16,18H,4-6,9-10,12H2,1-3H3
InChIKeyPRXBJYNZQXKCAH-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
N-butyl-N,3-dimethyl-4-[(propan-2-ylamino)methyl]aniline
CID 62135683
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
7-[6-hydroxyhexyl(methyl)amino]-4-methylchromen-2-one
CID 139664069
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62135377
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62135016
1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
CID 107200376

Frequently Asked Questions

What is the IUPAC name of 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol?
The IUPAC name of 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol (CID 107201156) is 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol.
What is the SMILES notation for 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol?
The canonical SMILES for 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol is CNCc1ccc(N(C)CCCCCO)cc1C.
What is the InChIKey of 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol?
The InChIKey is PRXBJYNZQXKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13-11-15(8-7-14(13)12-16-2)17(3)9-5-4-6-10-18/h7-8,11,16,18H,4-6,9-10,12H2,1-3H3.
What are the key properties of 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol?
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol is sourced from PubChem (CID 107201156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).