1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride

C14H25ClN2 — CID 70262837

IUPAC1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
SMILESCCN(CC)c1ccc(N(CC)CC)cc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-5-15(6-2)13-9-11-14(12-10-13)16(7-3)8-4;/h9-12H,5-8H2,1-4H3;1H
InChIKeyKKEZASPKGXAHOI-UHFFFAOYSA-N
MW256.82 g/mol
LogP3.80
Rot. Bonds6

About 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride (PubChem CID 70262837) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
PubChem CID70262837
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC Name1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
SMILESCCN(CC)c1ccc(N(CC)CC)cc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-5-15(6-2)13-9-11-14(12-10-13)16(7-3)8-4;/h9-12H,5-8H2,1-4H3;1H
InChIKeyKKEZASPKGXAHOI-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 53.80
H-Bond Donors ≤ 50
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,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(diethylamino)benzenethiol
CID 2758241
N,N-diethyl-4-fluoroaniline
CID 592416
N,N-diethylaniline
CID 7061
4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline
CID 21439568
4-tert-butyl-N,N-diethylaniline
CID 10632068
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
N,N-diethylaniline;hydrazine
CID 161037544
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride (CID 70262837) is 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride is CCN(CC)c1ccc(N(CC)CC)cc1.Cl.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is KKEZASPKGXAHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.ClH/c1-5-15(6-2)13-9-11-14(12-10-13)16(7-3)8-4;/h9-12H,5-8H2,1-4H3;1H.
What are the key properties of 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride?
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 70262837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).