1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine

C7H15N3 — CID 87111981

IUPAC1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine
SMILESCN(C)C1C2NC21N(C)C
InChIInChI=1S/C7H15N3/c1-9(2)6-5-7(6,8-5)10(3)4/h5-6,8H,1-4H3
InChIKeyWBHXPBSAFCVMBB-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.84
Rot. Bonds2

About 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine

1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine (PubChem CID 87111981) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine
PubChem CID87111981
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine
SMILESCN(C)C1C2NC21N(C)C
InChIInChI=1S/C7H15N3/c1-9(2)6-5-7(6,8-5)10(3)4/h5-6,8H,1-4H3
InChIKeyWBHXPBSAFCVMBB-UHFFFAOYSA-N
XLogP-0.84
TPSA28.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine (CID 87111981) is 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine is CN(C)C1C2NC21N(C)C.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine?
The InChIKey is WBHXPBSAFCVMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-9(2)6-5-7(6,8-5)10(3)4/h5-6,8H,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine?
1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine has a molecular weight of 141.22 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetramethyl-2-azabicyclo[1.1.0]butane-1,4-diamine is sourced from PubChem (CID 87111981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).