4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline

C17H30N2 — CID 63783395

IUPAC4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
SMILESCCCCN(CCCC)c1ccc(CCN)c(C)c1
InChIInChI=1S/C17H30N2/c1-4-6-12-19(13-7-5-2)17-9-8-16(10-11-18)15(3)14-17/h8-9,14H,4-7,10-13,18H2,1-3H3
InChIKeyRTXDVYYTWQQRNJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.90
Rot. Bonds9

About 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline

4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline (PubChem CID 63783395) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
PubChem CID63783395
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
SMILESCCCCN(CCCC)c1ccc(CCN)c(C)c1
InChIInChI=1S/C17H30N2/c1-4-6-12-19(13-7-5-2)17-9-8-16(10-11-18)15(3)14-17/h8-9,14H,4-7,10-13,18H2,1-3H3
InChIKeyRTXDVYYTWQQRNJ-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-5-(dibutylamino)phenol
CID 170868882
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
4-(aminomethyl)-N-butan-2-yl-N-butyl-3-methylaniline
CID 55038784
4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
CID 114238540
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
CID 63786193
4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63786709
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline (CID 63783395) is 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline is CCCCN(CCCC)c1ccc(CCN)c(C)c1.
What is the InChIKey of 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline?
The InChIKey is RTXDVYYTWQQRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-6-12-19(13-7-5-2)17-9-8-16(10-11-18)15(3)14-17/h8-9,14H,4-7,10-13,18H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline?
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline has a molecular weight of 262.44 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline is sourced from PubChem (CID 63783395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).