1-(1-adamantyl)-N-methylbut-3-yn-2-amine

C15H23N — CID 104995596

IUPAC1-(1-adamantyl)-N-methylbut-3-yn-2-amine
SMILESC#CC(CC12CC3CC(CC(C3)C1)C2)NC
InChIInChI=1S/C15H23N/c1-3-14(16-2)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h1,11-14,16H,4-10H2,2H3
InChIKeyKUDIPDYNIQDXDH-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.81
Rot. Bonds3

About 1-(1-adamantyl)-N-methylbut-3-yn-2-amine

1-(1-adamantyl)-N-methylbut-3-yn-2-amine (PubChem CID 104995596) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methylbut-3-yn-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methylbut-3-yn-2-amine
PubChem CID104995596
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(1-adamantyl)-N-methylbut-3-yn-2-amine
SMILESC#CC(CC12CC3CC(CC(C3)C1)C2)NC
InChIInChI=1S/C15H23N/c1-3-14(16-2)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h1,11-14,16H,4-10H2,2H3
InChIKeyKUDIPDYNIQDXDH-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)propan-2-ol
CID 5154050
1-(1-adamantyl)-N-methylbut-3-yn-1-amine
CID 62796404
2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79988415
2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
CID 79988682
1-(1-adamantyl)-N-methylpent-4-yn-1-amine
CID 55248533
2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 79988409
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196
1-(1-adamantyl)hex-4-yn-2-amine
CID 115819931
2-(1-adamantyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 79988914
1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105030493
1-(2-methylsulfonylpropyl)adamantane
CID 157095004
1-(2-chloro-2-methoxyethyl)tricyclo[5.1.1.13,5]decane
CID 123214349

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methylbut-3-yn-2-amine?
The IUPAC name of 1-(1-adamantyl)-N-methylbut-3-yn-2-amine (CID 104995596) is 1-(1-adamantyl)-N-methylbut-3-yn-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-N-methylbut-3-yn-2-amine?
The canonical SMILES for 1-(1-adamantyl)-N-methylbut-3-yn-2-amine is C#CC(CC12CC3CC(CC(C3)C1)C2)NC.
What is the InChIKey of 1-(1-adamantyl)-N-methylbut-3-yn-2-amine?
The InChIKey is KUDIPDYNIQDXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-14(16-2)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h1,11-14,16H,4-10H2,2H3.
What are the key properties of 1-(1-adamantyl)-N-methylbut-3-yn-2-amine?
1-(1-adamantyl)-N-methylbut-3-yn-2-amine has a molecular weight of 217.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methylbut-3-yn-2-amine is sourced from PubChem (CID 104995596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).