N-[(4-aminophenyl)methyl]adamantan-1-amine

C17H24N2 — CID 71605708

IUPACN-[(4-aminophenyl)methyl]adamantan-1-amine
SMILESNc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H24N2/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11,18H2
InChIKeyMSTXVBXQVWSQPA-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.33
Rot. Bonds3

About N-[(4-aminophenyl)methyl]adamantan-1-amine

N-[(4-aminophenyl)methyl]adamantan-1-amine (PubChem CID 71605708) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]adamantan-1-amine
PubChem CID71605708
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[(4-aminophenyl)methyl]adamantan-1-amine
SMILESNc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H24N2/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11,18H2
InChIKeyMSTXVBXQVWSQPA-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]adamantan-1-amine (CID 71605708) is N-[(4-aminophenyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]adamantan-1-amine is Nc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]adamantan-1-amine?
The InChIKey is MSTXVBXQVWSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11,18H2.
What are the key properties of N-[(4-aminophenyl)methyl]adamantan-1-amine?
N-[(4-aminophenyl)methyl]adamantan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]adamantan-1-amine is sourced from PubChem (CID 71605708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).