4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine

C19H34N2 — CID 160824799

IUPAC4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine
SMILESCCCCN(CCCC)c1ccc(N)c(CCC(C)C)c1
InChIInChI=1S/C19H34N2/c1-5-7-13-21(14-8-6-2)18-11-12-19(20)17(15-18)10-9-16(3)4/h11-12,15-16H,5-10,13-14,20H2,1-4H3
InChIKeyRPGJHRBTTQIBFK-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.26
Rot. Bonds10

About 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine

4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine (PubChem CID 160824799) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine
PubChem CID160824799
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine
SMILESCCCCN(CCCC)c1ccc(N)c(CCC(C)C)c1
InChIInChI=1S/C19H34N2/c1-5-7-13-21(14-8-6-2)18-11-12-19(20)17(15-18)10-9-16(3)4/h11-12,15-16H,5-10,13-14,20H2,1-4H3
InChIKeyRPGJHRBTTQIBFK-UHFFFAOYSA-N
XLogP5.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-4-fluoroaniline
CID 15399711
2-bromo-4-N,4-N-dihexylbenzene-1,4-diamine
CID 150613789
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
ethyl 2-amino-5-(dibutylamino)benzoate
CID 63425143
2-amino-5-[bis(3-methylbutyl)amino]benzonitrile
CID 107869201
3-(4-amino-N,3-diethylanilino)propan-1-ol
CID 18004349
2-(2-aminoethyl)-5-(dibutylamino)phenol
CID 170868882
3-N,3-N,7-N,7-N-tetrabutyl-10H-phenothiazine-3,7-diamine
CID 21441331
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660
4-(diethylamino)-2-(3-methylbutyl)benzoic acid
CID 18401314
ethane;2-(3-methylbutyl)aniline
CID 143042088

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine (CID 160824799) is 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine is CCCCN(CCCC)c1ccc(N)c(CCC(C)C)c1.
What is the InChIKey of 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine?
The InChIKey is RPGJHRBTTQIBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-7-13-21(14-8-6-2)18-11-12-19(20)17(15-18)10-9-16(3)4/h11-12,15-16H,5-10,13-14,20H2,1-4H3.
What are the key properties of 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine?
4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine has a molecular weight of 290.50 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-2-(3-methylbutyl)benzene-1,4-diamine is sourced from PubChem (CID 160824799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).