N,N'-ditert-butylnonanediamide

C17H34N2O2 — CID 3123947

IUPACN,N'-ditert-butylnonanediamide
SMILESCC(C)(C)NC(=O)CCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-14(20)12-10-8-7-9-11-13-15(21)19-17(4,5)6/h7-13H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyHDTOVZCKBKMFLZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.55
Rot. Bonds8

About N,N'-ditert-butylnonanediamide

N,N'-ditert-butylnonanediamide (PubChem CID 3123947) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N,N'-ditert-butylnonanediamide.

Molecular Properties

Compound NameN,N'-ditert-butylnonanediamide
PubChem CID3123947
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN,N'-ditert-butylnonanediamide
SMILESCC(C)(C)NC(=O)CCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-14(20)12-10-8-7-9-11-13-15(21)19-17(4,5)6/h7-13H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyHDTOVZCKBKMFLZ-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,N'-ditert-butylnonanediamide?
The IUPAC name of N,N'-ditert-butylnonanediamide (CID 3123947) is N,N'-ditert-butylnonanediamide.
What is the SMILES notation for N,N'-ditert-butylnonanediamide?
The canonical SMILES for N,N'-ditert-butylnonanediamide is CC(C)(C)NC(=O)CCCCCCCC(=O)NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butylnonanediamide?
The InChIKey is HDTOVZCKBKMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,3)18-14(20)12-10-8-7-9-11-13-15(21)19-17(4,5)6/h7-13H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of N,N'-ditert-butylnonanediamide?
N,N'-ditert-butylnonanediamide has a molecular weight of 298.47 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butylnonanediamide is sourced from PubChem (CID 3123947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).