1-(1-adamantyl)-N-methylpent-4-yn-1-amine

C16H25N — CID 55248533

IUPAC1-(1-adamantyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N/c1-3-4-5-15(17-2)16-9-12-6-13(10-16)8-14(7-12)11-16/h1,12-15,17H,4-11H2,2H3
InChIKeyFUADSUJCIXQDNL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.20
Rot. Bonds4

About 1-(1-adamantyl)-N-methylpent-4-yn-1-amine

1-(1-adamantyl)-N-methylpent-4-yn-1-amine (PubChem CID 55248533) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methylpent-4-yn-1-amine
PubChem CID55248533
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(1-adamantyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N/c1-3-4-5-15(17-2)16-9-12-6-13(10-16)8-14(7-12)11-16/h1,12-15,17H,4-11H2,2H3
InChIKeyFUADSUJCIXQDNL-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methylpent-4-yn-1-amine?
The IUPAC name of 1-(1-adamantyl)-N-methylpent-4-yn-1-amine (CID 55248533) is 1-(1-adamantyl)-N-methylpent-4-yn-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-N-methylpent-4-yn-1-amine?
The canonical SMILES for 1-(1-adamantyl)-N-methylpent-4-yn-1-amine is C#CCCC(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methylpent-4-yn-1-amine?
The InChIKey is FUADSUJCIXQDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-4-5-15(17-2)16-9-12-6-13(10-16)8-14(7-12)11-16/h1,12-15,17H,4-11H2,2H3.
What are the key properties of 1-(1-adamantyl)-N-methylpent-4-yn-1-amine?
1-(1-adamantyl)-N-methylpent-4-yn-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methylpent-4-yn-1-amine is sourced from PubChem (CID 55248533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).