2-hexyladamantan-2-amine

C16H29N — CID 90681190

IUPAC2-hexyladamantan-2-amine
SMILESCCCCCCC1(N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-16(17)14-8-12-7-13(10-14)11-15(16)9-12/h12-15H,2-11,17H2,1H3
InChIKeyBXGHRCWGQRXQTQ-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.11
Rot. Bonds5

About 2-hexyladamantan-2-amine

2-hexyladamantan-2-amine (PubChem CID 90681190) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-hexyladamantan-2-amine.

Molecular Properties

Compound Name2-hexyladamantan-2-amine
PubChem CID90681190
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-hexyladamantan-2-amine
SMILESCCCCCCC1(N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-16(17)14-8-12-7-13(10-14)11-15(16)9-12/h12-15H,2-11,17H2,1H3
InChIKeyBXGHRCWGQRXQTQ-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.11
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 2-hexyladamantan-2-amine?
The IUPAC name of 2-hexyladamantan-2-amine (CID 90681190) is 2-hexyladamantan-2-amine.
What is the SMILES notation for 2-hexyladamantan-2-amine?
The canonical SMILES for 2-hexyladamantan-2-amine is CCCCCCC1(N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-hexyladamantan-2-amine?
The InChIKey is BXGHRCWGQRXQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-3-4-5-6-16(17)14-8-12-7-13(10-14)11-15(16)9-12/h12-15H,2-11,17H2,1H3.
What are the key properties of 2-hexyladamantan-2-amine?
2-hexyladamantan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyladamantan-2-amine is sourced from PubChem (CID 90681190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).