N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine

C14H24N2 — CID 134995406

IUPACN,N'-ditert-butylhexa-2,4-diyne-1,6-diamine
SMILESCC(C)(C)NCC#CC#CCNC(C)(C)C
InChIInChI=1S/C14H24N2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,11-12H2,1-6H3
InChIKeyBUVQLGJHBRQLRH-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.77
Rot. Bonds2

About N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine

N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine (PubChem CID 134995406) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine.

Molecular Properties

Compound NameN,N'-ditert-butylhexa-2,4-diyne-1,6-diamine
PubChem CID134995406
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N'-ditert-butylhexa-2,4-diyne-1,6-diamine
SMILESCC(C)(C)NCC#CC#CCNC(C)(C)C
InChIInChI=1S/C14H24N2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,11-12H2,1-6H3
InChIKeyBUVQLGJHBRQLRH-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine?
The IUPAC name of N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine (CID 134995406) is N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine.
What is the SMILES notation for N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine?
The canonical SMILES for N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine is CC(C)(C)NCC#CC#CCNC(C)(C)C.
What is the InChIKey of N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine?
The InChIKey is BUVQLGJHBRQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,11-12H2,1-6H3.
What are the key properties of N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine?
N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine has a molecular weight of 220.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine is sourced from PubChem (CID 134995406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).