4-(1-aminododecyl)-N,N-dimethylaniline

C20H36N2 — CID 154320367

IUPAC4-(1-aminododecyl)-N,N-dimethylaniline
SMILESCCCCCCCCCCCC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H36N2/c1-4-5-6-7-8-9-10-11-12-13-20(21)18-14-16-19(17-15-18)22(2)3/h14-17,20H,4-13,21H2,1-3H3
InChIKeyCCGYLEPCYLNRAN-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.67
Rot. Bonds12

About 4-(1-aminododecyl)-N,N-dimethylaniline

4-(1-aminododecyl)-N,N-dimethylaniline (PubChem CID 154320367) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 4-(1-aminododecyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminododecyl)-N,N-dimethylaniline
PubChem CID154320367
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name4-(1-aminododecyl)-N,N-dimethylaniline
SMILESCCCCCCCCCCCC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H36N2/c1-4-5-6-7-8-9-10-11-12-13-20(21)18-14-16-19(17-15-18)22(2)3/h14-17,20H,4-13,21H2,1-3H3
InChIKeyCCGYLEPCYLNRAN-UHFFFAOYSA-N
XLogP5.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
CID 82367205
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
4-(1-aminooctyl)aniline
CID 137458153
1-(4-iodophenyl)heptan-1-amine
CID 115833109
1-(4-ethylphenyl)decan-1-amine
CID 63412475
4-(1-aminododecyl)phenol
CID 174770403
1-phenyldecan-1-amine
CID 43175860
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminododecyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminododecyl)-N,N-dimethylaniline (CID 154320367) is 4-(1-aminododecyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminododecyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminododecyl)-N,N-dimethylaniline is CCCCCCCCCCCC(N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-aminododecyl)-N,N-dimethylaniline?
The InChIKey is CCGYLEPCYLNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-4-5-6-7-8-9-10-11-12-13-20(21)18-14-16-19(17-15-18)22(2)3/h14-17,20H,4-13,21H2,1-3H3.
What are the key properties of 4-(1-aminododecyl)-N,N-dimethylaniline?
4-(1-aminododecyl)-N,N-dimethylaniline has a molecular weight of 304.52 g/mol, XLogP of 5.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminododecyl)-N,N-dimethylaniline is sourced from PubChem (CID 154320367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).