N,N'-ditert-butylethyne-1,2-diamine

C10H20N2 — CID 6396780

IUPACN,N'-ditert-butylethyne-1,2-diamine
SMILESCC(C)(C)NC#CNC(C)(C)C
InChIInChI=1S/C10H20N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,1-6H3
InChIKeyZMGSORKBMKJZSR-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.68
Rot. Bonds

About N,N'-ditert-butylethyne-1,2-diamine

N,N'-ditert-butylethyne-1,2-diamine (PubChem CID 6396780) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N'-ditert-butylethyne-1,2-diamine.

Molecular Properties

Compound NameN,N'-ditert-butylethyne-1,2-diamine
PubChem CID6396780
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N'-ditert-butylethyne-1,2-diamine
SMILESCC(C)(C)NC#CNC(C)(C)C
InChIInChI=1S/C10H20N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,1-6H3
InChIKeyZMGSORKBMKJZSR-UHFFFAOYSA-N
XLogP1.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butylethyne-1,2-diamine?
The IUPAC name of N,N'-ditert-butylethyne-1,2-diamine (CID 6396780) is N,N'-ditert-butylethyne-1,2-diamine.
What is the SMILES notation for N,N'-ditert-butylethyne-1,2-diamine?
The canonical SMILES for N,N'-ditert-butylethyne-1,2-diamine is CC(C)(C)NC#CNC(C)(C)C.
What is the InChIKey of N,N'-ditert-butylethyne-1,2-diamine?
The InChIKey is ZMGSORKBMKJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,1-6H3.
What are the key properties of N,N'-ditert-butylethyne-1,2-diamine?
N,N'-ditert-butylethyne-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butylethyne-1,2-diamine is sourced from PubChem (CID 6396780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).