N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride

C20H29ClN2 — CID 158304754

IUPACN,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCC(C)c1ccccc1NCCNc1ccccc1C(C)C.Cl
InChIInChI=1S/C20H28N2.ClH/c1-15(2)17-9-5-7-11-19(17)21-13-14-22-20-12-8-6-10-18(20)16(3)4;/h5-12,15-16,21-22H,13-14H2,1-4H3;1H
InChIKeyGMYCAOQAYOVXKE-UHFFFAOYSA-N
MW332.92 g/mol
LogP5.88
Rot. Bonds7

About N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride

N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 158304754) has the molecular formula C20H29ClN2 and a molecular weight of 332.92 g/mol. Its IUPAC name is N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID158304754
Molecular FormulaC20H29ClN2
Molecular Weight332.92 g/mol
Exact Mass332.20
IUPAC NameN,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCC(C)c1ccccc1NCCNc1ccccc1C(C)C.Cl
InChIInChI=1S/C20H28N2.ClH/c1-15(2)17-9-5-7-11-19(17)21-13-14-22-20-12-8-6-10-18(20)16(3)4;/h5-12,15-16,21-22H,13-14H2,1-4H3;1H
InChIKeyGMYCAOQAYOVXKE-UHFFFAOYSA-N
XLogP5.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.92
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 28574084
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244
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CID 29268175
N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54805498
N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54806994
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
N-(3-chloro-2-methylphenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54807478
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
N-(2,3-dimethylbutyl)-2-propan-2-ylaniline
CID 150228795
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808025

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride (CID 158304754) is N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride is CC(C)c1ccccc1NCCNc1ccccc1C(C)C.Cl.
What is the InChIKey of N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is GMYCAOQAYOVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.ClH/c1-15(2)17-9-5-7-11-19(17)21-13-14-22-20-12-8-6-10-18(20)16(3)4;/h5-12,15-16,21-22H,13-14H2,1-4H3;1H.
What are the key properties of N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride?
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 158304754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).