4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine

C10H18N4 — CID 143552121

IUPAC4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine
SMILESNCCN(CCN)c1ccc(N)cc1
InChIInChI=1S/C10H18N4/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,11-13H2
InChIKeyNTASVJHVFNEURS-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.01
Rot. Bonds5

About 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine

4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine (PubChem CID 143552121) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine
PubChem CID143552121
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine
SMILESNCCN(CCN)c1ccc(N)cc1
InChIInChI=1S/C10H18N4/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,11-13H2
InChIKeyNTASVJHVFNEURS-UHFFFAOYSA-N
XLogP-0.01
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
3-[4-amino-N-[3-(trimethylazaniumyl)propyl]anilino]propyl-trimethylazanium dichloride
CID 70008804
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
CID 58794851

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine (CID 143552121) is 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine is NCCN(CCN)c1ccc(N)cc1.
What is the InChIKey of 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine?
The InChIKey is NTASVJHVFNEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,11-13H2.
What are the key properties of 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine?
4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine has a molecular weight of 194.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine is sourced from PubChem (CID 143552121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).