3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine

C11H22N2 — CID 155033914

IUPAC3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine
SMILESC#CC(C(CC)NC)N(C)C(C)C
InChIInChI=1S/C11H22N2/c1-7-10(12-5)11(8-2)13(6)9(3)4/h2,9-12H,7H2,1,3-6H3
InChIKeyWDJBUIDEFNSNKL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds5

About 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine

3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine (PubChem CID 155033914) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine
PubChem CID155033914
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine
SMILESC#CC(C(CC)NC)N(C)C(C)C
InChIInChI=1S/C11H22N2/c1-7-10(12-5)11(8-2)13(6)9(3)4/h2,9-12H,7H2,1,3-6H3
InChIKeyWDJBUIDEFNSNKL-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-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 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine?
The IUPAC name of 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine (CID 155033914) is 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine.
What is the SMILES notation for 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine?
The canonical SMILES for 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine is C#CC(C(CC)NC)N(C)C(C)C.
What is the InChIKey of 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine?
The InChIKey is WDJBUIDEFNSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-10(12-5)11(8-2)13(6)9(3)4/h2,9-12H,7H2,1,3-6H3.
What are the key properties of 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine?
3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dimethyl-3-N-propan-2-ylhex-1-yne-3,4-diamine is sourced from PubChem (CID 155033914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).