4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride

C10H19ClN4 — CID 70468671

IUPAC4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride
SMILESCCNN(NCC)c1ccc(N)cc1.Cl
InChIInChI=1S/C10H18N4.ClH/c1-3-12-14(13-4-2)10-7-5-9(11)6-8-10;/h5-8,12-13H,3-4,11H2,1-2H3;1H
InChIKeyHDBPQAKIKPHOIQ-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.55
Rot. Bonds5

About 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride

4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride (PubChem CID 70468671) has the molecular formula C10H19ClN4 and a molecular weight of 230.74 g/mol. Its IUPAC name is 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride
PubChem CID70468671
Molecular FormulaC10H19ClN4
Molecular Weight230.74 g/mol
Exact Mass230.13
IUPAC Name4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride
SMILESCCNN(NCC)c1ccc(N)cc1.Cl
InChIInChI=1S/C10H18N4.ClH/c1-3-12-14(13-4-2)10-7-5-9(11)6-8-10;/h5-8,12-13H,3-4,11H2,1-2H3;1H
InChIKeyHDBPQAKIKPHOIQ-UHFFFAOYSA-N
XLogP1.55
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride?
The IUPAC name of 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride (CID 70468671) is 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride is CCNN(NCC)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride?
The InChIKey is HDBPQAKIKPHOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.ClH/c1-3-12-14(13-4-2)10-7-5-9(11)6-8-10;/h5-8,12-13H,3-4,11H2,1-2H3;1H.
What are the key properties of 4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride?
4-N,4-N-bis(ethylamino)benzene-1,4-diamine;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.55, 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(ethylamino)benzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 70468671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).