1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine

C16H24N2 — CID 112739993

IUPAC1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CCC3CC32)cc1
InChIInChI=1S/C16H24N2/c1-3-18(4-2)14-8-6-13(7-9-14)17-16-10-5-12-11-15(12)16/h6-9,12,15-17H,3-5,10-11H2,1-2H3
InChIKeySOKAZWHPGCIIRF-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.74
Rot. Bonds5

About 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 112739993) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID112739993
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CCC3CC32)cc1
InChIInChI=1S/C16H24N2/c1-3-18(4-2)14-8-6-13(7-9-14)17-16-10-5-12-11-15(12)16/h6-9,12,15-17H,3-5,10-11H2,1-2H3
InChIKeySOKAZWHPGCIIRF-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 112739993) is 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(NC2CCC3CC32)cc1.
What is the InChIKey of 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is SOKAZWHPGCIIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-18(4-2)14-8-6-13(7-9-14)17-16-10-5-12-11-15(12)16/h6-9,12,15-17H,3-5,10-11H2,1-2H3.
What are the key properties of 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 112739993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).