6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen

C11H23N — CID 155740482

IUPAC6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen
SMILESCCCNCCCC#CC(C)C.[H][H]
InChIInChI=1S/C11H21N.H2/c1-4-9-12-10-7-5-6-8-11(2)3;/h11-12H,4-5,7,9-10H2,1-3H3;1H
InChIKeyHQRFTKWQQJGPQE-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds5

About 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen

6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen (PubChem CID 155740482) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen.

Molecular Properties

Compound Name6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen
PubChem CID155740482
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen
SMILESCCCNCCCC#CC(C)C.[H][H]
InChIInChI=1S/C11H21N.H2/c1-4-9-12-10-7-5-6-8-11(2)3;/h11-12H,4-5,7,9-10H2,1-3H3;1H
InChIKeyHQRFTKWQQJGPQE-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen?
The IUPAC name of 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen (CID 155740482) is 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen.
What is the SMILES notation for 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen?
The canonical SMILES for 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen is CCCNCCCC#CC(C)C.[H][H].
What is the InChIKey of 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen?
The InChIKey is HQRFTKWQQJGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.H2/c1-4-9-12-10-7-5-6-8-11(2)3;/h11-12H,4-5,7,9-10H2,1-3H3;1H.
What are the key properties of 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen?
6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen has a molecular weight of 169.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylhept-4-yn-1-amine;molecular hydrogen is sourced from PubChem (CID 155740482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).