N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine

C16H36N2O — CID 138713270

IUPACN-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
SMILESCC(C)OC(C)(C)CC(C)(C)NCCNC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)19-16(8,9)12-15(6,7)18-11-10-17-14(3,4)5/h13,17-18H,10-12H2,1-9H3
InChIKeyRSCFVAGCLZGIPJ-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.34
Rot. Bonds8

About N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine

N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine (PubChem CID 138713270) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
PubChem CID138713270
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
SMILESCC(C)OC(C)(C)CC(C)(C)NCCNC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)19-16(8,9)12-15(6,7)18-11-10-17-14(3,4)5/h13,17-18H,10-12H2,1-9H3
InChIKeyRSCFVAGCLZGIPJ-UHFFFAOYSA-N
XLogP3.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine (CID 138713270) is N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine is CC(C)OC(C)(C)CC(C)(C)NCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine?
The InChIKey is RSCFVAGCLZGIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-13(2)19-16(8,9)12-15(6,7)18-11-10-17-14(3,4)5/h13,17-18H,10-12H2,1-9H3.
What are the key properties of N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine?
N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 138713270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).