5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol

C14H24N2O — CID 114016676

IUPAC5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol
SMILESCc1ccc(N(C)CCCCCO)c(CN)c1
InChIInChI=1S/C14H24N2O/c1-12-6-7-14(13(10-12)11-15)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11,15H2,1-2H3
InChIKeyFUROCBLXHKEMJY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds7

About 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol

5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol (PubChem CID 114016676) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol
PubChem CID114016676
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol
SMILESCc1ccc(N(C)CCCCCO)c(CN)c1
InChIInChI=1S/C14H24N2O/c1-12-6-7-14(13(10-12)11-15)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11,15H2,1-2H3
InChIKeyFUROCBLXHKEMJY-UHFFFAOYSA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(aminomethyl)-3-bromo-2-fluoro-N-methylanilino]pentan-1-ol
CID 107532538
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
CID 107926001
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
5-amino-2-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 63116498
3-bromo-4-[5-hydroxypentyl(methyl)amino]benzenecarbothioamide
CID 107199792
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
CID 114016646

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol?
The IUPAC name of 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol (CID 114016676) is 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol.
What is the SMILES notation for 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol?
The canonical SMILES for 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol is Cc1ccc(N(C)CCCCCO)c(CN)c1.
What is the InChIKey of 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol?
The InChIKey is FUROCBLXHKEMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-6-7-14(13(10-12)11-15)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11,15H2,1-2H3.
What are the key properties of 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol?
5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol is sourced from PubChem (CID 114016676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).