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

C15H23N — CID 62796404

IUPAC1-(1-adamantyl)-N-methylbut-3-yn-1-amine
SMILESC#CCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-3-4-14(16-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h1,11-14,16H,4-10H2,2H3
InChIKeyUWNYDRJNCDMCPX-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.81
Rot. Bonds3

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

1-(1-adamantyl)-N-methylbut-3-yn-1-amine (PubChem CID 62796404) 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-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methylbut-3-yn-1-amine
PubChem CID62796404
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(1-adamantyl)-N-methylbut-3-yn-1-amine
SMILESC#CCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-3-4-14(16-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h1,11-14,16H,4-10H2,2H3
InChIKeyUWNYDRJNCDMCPX-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)-N-methylpent-4-yn-1-amine
CID 55248533
1-(1-adamantyl)but-3-yn-1-ol
CID 62796395
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509
1-(1-adamantyl)-N'-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63466428
N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine
CID 4724201
1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
CID 63416108
1-(1-adamantyl)-2-tert-butylsulfonyl-N-methylethanamine
CID 64645967
1-(1-adamantyl)-N'-butyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63466577
1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine
CID 63467165
N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
CID 105077554
1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981201
1-(1-adamantyl)-N-methylbut-3-yn-2-amine
CID 104995596

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 1-(1-adamantyl)-N-methylbut-3-yn-1-amine (CID 62796404) is 1-(1-adamantyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 1-(1-adamantyl)-N-methylbut-3-yn-1-amine is C#CCC(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methylbut-3-yn-1-amine?
The InChIKey is UWNYDRJNCDMCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-14(16-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h1,11-14,16H,4-10H2,2H3.
What are the key properties of 1-(1-adamantyl)-N-methylbut-3-yn-1-amine?
1-(1-adamantyl)-N-methylbut-3-yn-1-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-1-amine is sourced from PubChem (CID 62796404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).