N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine

C16H36N2O — CID 138713215

IUPACN-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine
SMILESCC(C)OC(C)CCC(C)(C)NCCNC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)19-14(3)9-10-16(7,8)18-12-11-17-15(4,5)6/h13-14,17-18H,9-12H2,1-8H3
InChIKeyBOTRSGNAGYJZJC-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.34
Rot. Bonds9

About N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine

N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine (PubChem CID 138713215) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine
PubChem CID138713215
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine
SMILESCC(C)OC(C)CCC(C)(C)NCCNC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)19-14(3)9-10-16(7,8)18-12-11-17-15(4,5)6/h13-14,17-18H,9-12H2,1-8H3
InChIKeyBOTRSGNAGYJZJC-UHFFFAOYSA-N
XLogP3.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine (CID 138713215) is N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine is CC(C)OC(C)CCC(C)(C)NCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine?
The InChIKey is BOTRSGNAGYJZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-13(2)19-14(3)9-10-16(7,8)18-12-11-17-15(4,5)6/h13-14,17-18H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine?
N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.34, 9 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-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 138713215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).