4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine

C18H30N2 — CID 106661857

IUPAC4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CC(C)(C)CC2C)cc1
InChIInChI=1S/C18H30N2/c1-6-20(7-2)16-10-8-15(9-11-16)19-17-13-18(4,5)12-14(17)3/h8-11,14,17,19H,6-7,12-13H2,1-5H3
InChIKeyIHRDQMZVPNBXFP-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.77
Rot. Bonds5

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

4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine (PubChem CID 106661857) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine
PubChem CID106661857
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CC(C)(C)CC2C)cc1
InChIInChI=1S/C18H30N2/c1-6-20(7-2)16-10-8-15(9-11-16)19-17-13-18(4,5)12-14(17)3/h8-11,14,17,19H,6-7,12-13H2,1-5H3
InChIKeyIHRDQMZVPNBXFP-UHFFFAOYSA-N
XLogP4.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
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

4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661610
[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
CID 106662193
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662084
3-iodo-4-methyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662008
1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 112739993
4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321095
2-[N-ethyl-4-[(2-methylcyclohexyl)amino]anilino]ethanol
CID 60932267
3,4,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662480
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 106661595
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662117
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine (CID 106661857) is 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine is CCN(CC)c1ccc(NC2CC(C)(C)CC2C)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine?
The InChIKey is IHRDQMZVPNBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-20(7-2)16-10-8-15(9-11-16)19-17-13-18(4,5)12-14(17)3/h8-11,14,17,19H,6-7,12-13H2,1-5H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.77, 5 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-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine is sourced from PubChem (CID 106661857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).