4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine

C16H28N2 — CID 43680171

IUPAC4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC(C)CC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-18(7-2)16-10-8-15(9-11-16)17-14(5)12-13(3)4/h8-11,13-14,17H,6-7,12H2,1-5H3
InChIKeyQVMDDNMGQFSART-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.38
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine (PubChem CID 43680171) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
PubChem CID43680171
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC(C)CC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-18(7-2)16-10-8-15(9-11-16)17-14(5)12-13(3)4/h8-11,13-14,17H,6-7,12H2,1-5H3
InChIKeyQVMDDNMGQFSART-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-methylpentan-2-yl)-4-N-[4-(4-methylpentan-2-ylamino)phenyl]-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 178132403
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
4-N-(4-methylpentan-2-yl)-1-N-[4-[4-[4-(4-methylpentan-2-ylamino)anilino]-N-propan-2-ylanilino]phenyl]benzene-1,4-diamine
CID 170570875
1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 83962963
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine
CID 43680173
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
4-N-(4-methylpentan-2-yl)-1-N-[10-[4-(4-methylpentan-2-ylamino)anilino]decyl]benzene-1,4-diamine
CID 126713435
1-methyl-3-[4-(4-methylpentan-2-ylamino)phenyl]urea
CID 43744400
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine (CID 43680171) is 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine is CCN(CC)c1ccc(NC(C)CC(C)C)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine?
The InChIKey is QVMDDNMGQFSART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-18(7-2)16-10-8-15(9-11-16)17-14(5)12-13(3)4/h8-11,13-14,17H,6-7,12H2,1-5H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 43680171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).