2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol

C18H30N2O — CID 102632987

IUPAC2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol
SMILESCCCNCc1ccc(N(C)C2CCCCC2O)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-11-19-13-15-9-10-16(14(2)12-15)20(3)17-7-5-6-8-18(17)21/h9-10,12,17-19,21H,4-8,11,13H2,1-3H3
InChIKeyIFGIDUCPCVQSBG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds6

About 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol

2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol (PubChem CID 102632987) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol
PubChem CID102632987
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol
SMILESCCCNCc1ccc(N(C)C2CCCCC2O)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-11-19-13-15-9-10-16(14(2)12-15)20(3)17-7-5-6-8-18(17)21/h9-10,12,17-19,21H,4-8,11,13H2,1-3H3
InChIKeyIFGIDUCPCVQSBG-UHFFFAOYSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol
CID 102633008
2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol
CID 102632814
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
3-[N-cyclobutyl-2-methyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864620
N,2-dimethyl-N-(oxan-4-ylmethyl)-4-(propylaminomethyl)aniline
CID 63711399
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
CID 102633000
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749081
2-[methyl-[2-(propylamino)ethyl]amino]cyclohexan-1-ol
CID 102636184
2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60879504
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859

Frequently Asked Questions

What is the IUPAC name of 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol (CID 102632987) is 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol is CCCNCc1ccc(N(C)C2CCCCC2O)c(C)c1.
What is the InChIKey of 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol?
The InChIKey is IFGIDUCPCVQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-19-13-15-9-10-16(14(2)12-15)20(3)17-7-5-6-8-18(17)21/h9-10,12,17-19,21H,4-8,11,13H2,1-3H3.
What are the key properties of 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol?
2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 102632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).