N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine

C15H23N — CID 4724201

IUPACN-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine
SMILESC#CCNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-3-4-16-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h1,11-14,16H,4-10H2,2H3
InChIKeySGLAACNKRHNTTE-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.81
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine

N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine (PubChem CID 4724201) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine
PubChem CID4724201
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine
SMILESC#CCNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-3-4-16-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h1,11-14,16H,4-10H2,2H3
InChIKeySGLAACNKRHNTTE-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine (CID 4724201) is N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine is C#CCNC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine?
The InChIKey is SGLAACNKRHNTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-16-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h1,11-14,16H,4-10H2,2H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine?
N-[1-(1-adamantyl)ethyl]prop-2-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 N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 4724201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).