N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C11H22N2 — CID 79668207

IUPACN'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCC#CCN(CC)CC(C)(C)CN
InChIInChI=1S/C11H22N2/c1-5-7-8-13(6-2)10-11(3,4)9-12/h6,8-10,12H2,1-4H3
InChIKeyLQSXMJUVMGQPOH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.32
Rot. Bonds5

About N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79668207) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79668207
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCC#CCN(CC)CC(C)(C)CN
InChIInChI=1S/C11H22N2/c1-5-7-8-13(6-2)10-11(3,4)9-12/h6,8-10,12H2,1-4H3
InChIKeyLQSXMJUVMGQPOH-UHFFFAOYSA-N
XLogP1.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79668207) is N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CC#CCN(CC)CC(C)(C)CN.
What is the InChIKey of N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is LQSXMJUVMGQPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-8-13(6-2)10-11(3,4)9-12/h6,8-10,12H2,1-4H3.
What are the key properties of N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-ynyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79668207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).