4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol

C16H26N2O — CID 117039434

IUPAC4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13-4-6-14(7-5-13)18(3)15-8-10-16(19,11-9-15)12-17-2/h4-7,15,17,19H,8-12H2,1-3H3
InChIKeyNOLLSXXYBNFVED-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds4

About 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol

4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 117039434) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
PubChem CID117039434
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13-4-6-14(7-5-13)18(3)15-8-10-16(19,11-9-15)12-17-2/h4-7,15,17,19H,8-12H2,1-3H3
InChIKeyNOLLSXXYBNFVED-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
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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Related Compounds

4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039436
4-[(5-bromothiophen-2-yl)-methylamino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039437
4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117038147
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
CID 78917483
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934
1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol
CID 82303443
(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 97157102
cis-(1R,2R)-2-(methylaminomethyl)-2-(4-methylphenyl)cyclohexan-1-ol
CID 118055083
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106312443
4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol
CID 115149409

Frequently Asked Questions

What is the IUPAC name of 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol (CID 117039434) is 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol is CNCC1(O)CCC(N(C)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is NOLLSXXYBNFVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-4-6-14(7-5-13)18(3)15-8-10-16(19,11-9-15)12-17-2/h4-7,15,17,19H,8-12H2,1-3H3.
What are the key properties of 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 117039434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).