N-decyladamantan-2-amine

C20H37N — CID 78912562

IUPACN-decyladamantan-2-amine
SMILESCCCCCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H37N/c1-2-3-4-5-6-7-8-9-10-21-20-18-12-16-11-17(14-18)15-19(20)13-16/h16-21H,2-15H2,1H3
InChIKeyCDLSRBIRQROJDL-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.54
Rot. Bonds10

About N-decyladamantan-2-amine

N-decyladamantan-2-amine (PubChem CID 78912562) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N-decyladamantan-2-amine.

Molecular Properties

Compound NameN-decyladamantan-2-amine
PubChem CID78912562
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN-decyladamantan-2-amine
SMILESCCCCCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H37N/c1-2-3-4-5-6-7-8-9-10-21-20-18-12-16-11-17(14-18)15-19(20)13-16/h16-21H,2-15H2,1H3
InChIKeyCDLSRBIRQROJDL-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-decyladamantan-2-amine?
The IUPAC name of N-decyladamantan-2-amine (CID 78912562) is N-decyladamantan-2-amine.
What is the SMILES notation for N-decyladamantan-2-amine?
The canonical SMILES for N-decyladamantan-2-amine is CCCCCCCCCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-decyladamantan-2-amine?
The InChIKey is CDLSRBIRQROJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-2-3-4-5-6-7-8-9-10-21-20-18-12-16-11-17(14-18)15-19(20)13-16/h16-21H,2-15H2,1H3.
What are the key properties of N-decyladamantan-2-amine?
N-decyladamantan-2-amine has a molecular weight of 291.52 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyladamantan-2-amine is sourced from PubChem (CID 78912562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).