N-[2-(dimethoxymethyl)decyl]aniline

C19H33NO2 — CID 152642326

IUPACN-[2-(dimethoxymethyl)decyl]aniline
SMILESCCCCCCCCC(CNc1ccccc1)C(OC)OC
InChIInChI=1S/C19H33NO2/c1-4-5-6-7-8-10-13-17(19(21-2)22-3)16-20-18-14-11-9-12-15-18/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3
InChIKeyZFVGHJKHGJBBLL-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.08
Rot. Bonds13

About N-[2-(dimethoxymethyl)decyl]aniline

N-[2-(dimethoxymethyl)decyl]aniline (PubChem CID 152642326) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[2-(dimethoxymethyl)decyl]aniline.

Molecular Properties

Compound NameN-[2-(dimethoxymethyl)decyl]aniline
PubChem CID152642326
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-[2-(dimethoxymethyl)decyl]aniline
SMILESCCCCCCCCC(CNc1ccccc1)C(OC)OC
InChIInChI=1S/C19H33NO2/c1-4-5-6-7-8-10-13-17(19(21-2)22-3)16-20-18-14-11-9-12-15-18/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3
InChIKeyZFVGHJKHGJBBLL-UHFFFAOYSA-N
XLogP5.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-diphenyldodecane-1,2-diamine
CID 10784226
1-anilinoheptan-2-ol
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CID 151143089
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
N-nonadecylaniline
CID 54509054
1-anilinoheptacosan-13-ol
CID 151401190
N-(2-hexyldecyl)azulen-2-amine
CID 156790196
N-heptylaniline;hydrate
CID 174886464
N-undecan-3-ylaniline
CID 171755615
N-[4-(tripropoxymethyl)dodecyl]aniline
CID 151444668
6-(dimethoxymethyl)tetradecane-3-thiol
CID 150828856
1-anilinohexadecan-1-ol
CID 173133122

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethoxymethyl)decyl]aniline?
The IUPAC name of N-[2-(dimethoxymethyl)decyl]aniline (CID 152642326) is N-[2-(dimethoxymethyl)decyl]aniline.
What is the SMILES notation for N-[2-(dimethoxymethyl)decyl]aniline?
The canonical SMILES for N-[2-(dimethoxymethyl)decyl]aniline is CCCCCCCCC(CNc1ccccc1)C(OC)OC.
What is the InChIKey of N-[2-(dimethoxymethyl)decyl]aniline?
The InChIKey is ZFVGHJKHGJBBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-4-5-6-7-8-10-13-17(19(21-2)22-3)16-20-18-14-11-9-12-15-18/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3.
What are the key properties of N-[2-(dimethoxymethyl)decyl]aniline?
N-[2-(dimethoxymethyl)decyl]aniline has a molecular weight of 307.48 g/mol, XLogP of 5.08, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethoxymethyl)decyl]aniline is sourced from PubChem (CID 152642326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).