4-[(N,4-dimethylanilino)methyl]oxan-4-amine

C14H22N2O — CID 115295457

IUPAC4-[(N,4-dimethylanilino)methyl]oxan-4-amine
SMILESCc1ccc(N(C)CC2(N)CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-3-5-13(6-4-12)16(2)11-14(15)7-9-17-10-8-14/h3-6H,7-11,15H2,1-2H3
InChIKeyRRAANDJJUGGWMC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds3

About 4-[(N,4-dimethylanilino)methyl]oxan-4-amine

4-[(N,4-dimethylanilino)methyl]oxan-4-amine (PubChem CID 115295457) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(N,4-dimethylanilino)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(N,4-dimethylanilino)methyl]oxan-4-amine
PubChem CID115295457
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(N,4-dimethylanilino)methyl]oxan-4-amine
SMILESCc1ccc(N(C)CC2(N)CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-3-5-13(6-4-12)16(2)11-14(15)7-9-17-10-8-14/h3-6H,7-11,15H2,1-2H3
InChIKeyRRAANDJJUGGWMC-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

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CID 776851
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4-[(4-Ethylpiperazin-1-yl)methyl]aniline
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4-Morpholinobenzylamine
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1-(p-Tolyl)piperazine
CID 83113
2-Methyl-1-(p-tolyl)piperazine
CID 98290
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
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N-(4-{[3-(2-hydroxyethyl)-4-(3-methyl-2-buten-1-yl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16187341
4-[2-[[4-(Dimethylamino)phenyl]methylamino]ethyl]-2,2-dimethyl-4-oxanol
CID 646846
1-(4-Methylphenyl)-4-propylpiperazine
CID 21057863
[4-(4-Methylpiperazin-1-yl)phenyl]methanamine
CID 2776493

Frequently Asked Questions

What is the IUPAC name of 4-[(N,4-dimethylanilino)methyl]oxan-4-amine?
The IUPAC name of 4-[(N,4-dimethylanilino)methyl]oxan-4-amine (CID 115295457) is 4-[(N,4-dimethylanilino)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(N,4-dimethylanilino)methyl]oxan-4-amine?
The canonical SMILES for 4-[(N,4-dimethylanilino)methyl]oxan-4-amine is Cc1ccc(N(C)CC2(N)CCOCC2)cc1.
What is the InChIKey of 4-[(N,4-dimethylanilino)methyl]oxan-4-amine?
The InChIKey is RRAANDJJUGGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-3-5-13(6-4-12)16(2)11-14(15)7-9-17-10-8-14/h3-6H,7-11,15H2,1-2H3.
What are the key properties of 4-[(N,4-dimethylanilino)methyl]oxan-4-amine?
4-[(N,4-dimethylanilino)methyl]oxan-4-amine has a molecular weight of 234.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N,4-dimethylanilino)methyl]oxan-4-amine is sourced from PubChem (CID 115295457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).