N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide

C19H38N2O2 — CID 166236777

IUPACN,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide
SMILESCCN(C(=O)CCC(C)CC(=O)N(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-10-20(18(4,5)6)16(22)13-12-15(3)14-17(23)21(11-2)19(7,8)9/h15H,10-14H2,1-9H3
InChIKeyHTZPYRARNCPVTD-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.09
Rot. Bonds7

About N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide

N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide (PubChem CID 166236777) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide.

Molecular Properties

Compound NameN,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide
PubChem CID166236777
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide
SMILESCCN(C(=O)CCC(C)CC(=O)N(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-10-20(18(4,5)6)16(22)13-12-15(3)14-17(23)21(11-2)19(7,8)9/h15H,10-14H2,1-9H3
InChIKeyHTZPYRARNCPVTD-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide?
The IUPAC name of N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide (CID 166236777) is N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide.
What is the SMILES notation for N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide?
The canonical SMILES for N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide is CCN(C(=O)CCC(C)CC(=O)N(CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide?
The InChIKey is HTZPYRARNCPVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-10-20(18(4,5)6)16(22)13-12-15(3)14-17(23)21(11-2)19(7,8)9/h15H,10-14H2,1-9H3.
What are the key properties of N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide?
N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide has a molecular weight of 326.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide is sourced from PubChem (CID 166236777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).