4-(1,1-dimethoxydecyl)aniline

C18H31NO2 — CID 150019034

IUPAC4-(1,1-dimethoxydecyl)aniline
SMILESCCCCCCCCCC(OC)(OC)c1ccc(N)cc1
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-15-18(20-2,21-3)16-11-13-17(19)14-12-16/h11-14H,4-10,15,19H2,1-3H3
InChIKeyDEWNCADCYUGEGH-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.86
Rot. Bonds11

About 4-(1,1-dimethoxydecyl)aniline

4-(1,1-dimethoxydecyl)aniline (PubChem CID 150019034) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(1,1-dimethoxydecyl)aniline.

Molecular Properties

Compound Name4-(1,1-dimethoxydecyl)aniline
PubChem CID150019034
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-(1,1-dimethoxydecyl)aniline
SMILESCCCCCCCCCC(OC)(OC)c1ccc(N)cc1
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-15-18(20-2,21-3)16-11-13-17(19)14-12-16/h11-14H,4-10,15,19H2,1-3H3
InChIKeyDEWNCADCYUGEGH-UHFFFAOYSA-N
XLogP4.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(3-aminopropyl)dodecan-5-yl]aniline
CID 56995609
4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline
CID 19913250
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]tetradecan-2-yl]phenyl]methyl]aniline
CID 22316084
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]decan-2-yl]phenyl]methyl]aniline
CID 22315979
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline
CID 22316079
1,1-diethoxyheptane;1,1-dimethoxyheptane;1,1-dimethoxyhexylbenzene;hexane
CID 175298511
4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline
CID 134331731
4-hexadecylaniline
CID 571906
4-dodecylaniline;nonadecane
CID 155059812
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
4-[4-[5-[4-(4-aminophenoxy)phenyl]-1-fluorononan-5-yl]phenoxy]aniline
CID 57315593
benzene-1,4-diamine;pentan-1-ol
CID 174707201

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dimethoxydecyl)aniline?
The IUPAC name of 4-(1,1-dimethoxydecyl)aniline (CID 150019034) is 4-(1,1-dimethoxydecyl)aniline.
What is the SMILES notation for 4-(1,1-dimethoxydecyl)aniline?
The canonical SMILES for 4-(1,1-dimethoxydecyl)aniline is CCCCCCCCCC(OC)(OC)c1ccc(N)cc1.
What is the InChIKey of 4-(1,1-dimethoxydecyl)aniline?
The InChIKey is DEWNCADCYUGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-15-18(20-2,21-3)16-11-13-17(19)14-12-16/h11-14H,4-10,15,19H2,1-3H3.
What are the key properties of 4-(1,1-dimethoxydecyl)aniline?
4-(1,1-dimethoxydecyl)aniline has a molecular weight of 293.45 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethoxydecyl)aniline is sourced from PubChem (CID 150019034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).