N-[5-(1,1-dimethoxyethyl)tridecyl]aniline

C23H41NO2 — CID 151722105

IUPACN-[5-(1,1-dimethoxyethyl)tridecyl]aniline
SMILESCCCCCCCCC(CCCCNc1ccccc1)C(C)(OC)OC
InChIInChI=1S/C23H41NO2/c1-5-6-7-8-9-11-16-21(23(2,25-3)26-4)17-14-15-20-24-22-18-12-10-13-19-22/h10,12-13,18-19,21,24H,5-9,11,14-17,20H2,1-4H3
InChIKeyRIUNHYHRTNJOCE-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.64
Rot. Bonds16

About N-[5-(1,1-dimethoxyethyl)tridecyl]aniline

N-[5-(1,1-dimethoxyethyl)tridecyl]aniline (PubChem CID 151722105) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is N-[5-(1,1-dimethoxyethyl)tridecyl]aniline.

Molecular Properties

Compound NameN-[5-(1,1-dimethoxyethyl)tridecyl]aniline
PubChem CID151722105
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC NameN-[5-(1,1-dimethoxyethyl)tridecyl]aniline
SMILESCCCCCCCCC(CCCCNc1ccccc1)C(C)(OC)OC
InChIInChI=1S/C23H41NO2/c1-5-6-7-8-9-11-16-21(23(2,25-3)26-4)17-14-15-20-24-22-18-12-10-13-19-22/h10,12-13,18-19,21,24H,5-9,11,14-17,20H2,1-4H3
InChIKeyRIUNHYHRTNJOCE-UHFFFAOYSA-N
XLogP6.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.64
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

N-nonadecylaniline
CID 54509054
N-[4-(tripropoxymethyl)dodecyl]aniline
CID 151444668
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
N-heptylaniline;hydrate
CID 174886464
1-anilinoheptacosan-13-ol
CID 151401190
N-(12-dodecoxydodecyl)aniline
CID 54486065
1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene
CID 150917008
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
5-(1,1-dimethoxyethyl)nonane
CID 139962185

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dimethoxyethyl)tridecyl]aniline?
The IUPAC name of N-[5-(1,1-dimethoxyethyl)tridecyl]aniline (CID 151722105) is N-[5-(1,1-dimethoxyethyl)tridecyl]aniline.
What is the SMILES notation for N-[5-(1,1-dimethoxyethyl)tridecyl]aniline?
The canonical SMILES for N-[5-(1,1-dimethoxyethyl)tridecyl]aniline is CCCCCCCCC(CCCCNc1ccccc1)C(C)(OC)OC.
What is the InChIKey of N-[5-(1,1-dimethoxyethyl)tridecyl]aniline?
The InChIKey is RIUNHYHRTNJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-5-6-7-8-9-11-16-21(23(2,25-3)26-4)17-14-15-20-24-22-18-12-10-13-19-22/h10,12-13,18-19,21,24H,5-9,11,14-17,20H2,1-4H3.
What are the key properties of N-[5-(1,1-dimethoxyethyl)tridecyl]aniline?
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline has a molecular weight of 363.59 g/mol, XLogP of 6.64, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dimethoxyethyl)tridecyl]aniline is sourced from PubChem (CID 151722105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).