2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine

C11H17NO — CID 139381822

IUPAC2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine
SMILESC#CCCCC(C)(N)COCC#C
InChIInChI=1S/C11H17NO/c1-4-6-7-8-11(3,12)10-13-9-5-2/h1-2H,6-10,12H2,3H3
InChIKeyOCCWMGMEBHZKMQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.16
Rot. Bonds6

About 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine

2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine (PubChem CID 139381822) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine.

Molecular Properties

Compound Name2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine
PubChem CID139381822
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine
SMILESC#CCCCC(C)(N)COCC#C
InChIInChI=1S/C11H17NO/c1-4-6-7-8-11(3,12)10-13-9-5-2/h1-2H,6-10,12H2,3H3
InChIKeyOCCWMGMEBHZKMQ-UHFFFAOYSA-N
XLogP1.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine 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 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine?
The IUPAC name of 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine (CID 139381822) is 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine.
What is the SMILES notation for 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine?
The canonical SMILES for 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine is C#CCCCC(C)(N)COCC#C.
What is the InChIKey of 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine?
The InChIKey is OCCWMGMEBHZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-7-8-11(3,12)10-13-9-5-2/h1-2H,6-10,12H2,3H3.
What are the key properties of 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine?
2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine has a molecular weight of 179.26 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine is sourced from PubChem (CID 139381822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).