1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine

C19H26N2 — CID 83962170

IUPAC1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-3-14-21(15-4-2)19-12-10-18(11-13-19)20-16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3
InChIKeyWEMVELGSMBLMOP-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.93
Rot. Bonds8

About 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine

1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine (PubChem CID 83962170) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine
PubChem CID83962170
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-3-14-21(15-4-2)19-12-10-18(11-13-19)20-16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3
InChIKeyWEMVELGSMBLMOP-UHFFFAOYSA-N
XLogP4.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796
N,N-dipropylaniline;ethane
CID 142135231
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
CID 163931246
CID 163931246
4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 83962209
N-benzyl-N-propylaniline
CID 14671265
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine?
The IUPAC name of 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine (CID 83962170) is 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine?
The canonical SMILES for 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine is CCCN(CCC)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine?
The InChIKey is WEMVELGSMBLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-14-21(15-4-2)19-12-10-18(11-13-19)20-16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3.
What are the key properties of 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine?
1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine is sourced from PubChem (CID 83962170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).