N-octyladamantan-2-amine

C18H33N — CID 43223221

IUPACN-octyladamantan-2-amine
SMILESCCCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-19-18-16-10-14-9-15(12-16)13-17(18)11-14/h14-19H,2-13H2,1H3
InChIKeyNUBOJBIMYVNEGC-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds8

About N-octyladamantan-2-amine

N-octyladamantan-2-amine (PubChem CID 43223221) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-octyladamantan-2-amine.

Molecular Properties

Compound NameN-octyladamantan-2-amine
PubChem CID43223221
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-octyladamantan-2-amine
SMILESCCCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-19-18-16-10-14-9-15(12-16)13-17(18)11-14/h14-19H,2-13H2,1H3
InChIKeyNUBOJBIMYVNEGC-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
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-octyladamantan-2-amine?
The IUPAC name of N-octyladamantan-2-amine (CID 43223221) is N-octyladamantan-2-amine.
What is the SMILES notation for N-octyladamantan-2-amine?
The canonical SMILES for N-octyladamantan-2-amine is CCCCCCCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-octyladamantan-2-amine?
The InChIKey is NUBOJBIMYVNEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-19-18-16-10-14-9-15(12-16)13-17(18)11-14/h14-19H,2-13H2,1H3.
What are the key properties of N-octyladamantan-2-amine?
N-octyladamantan-2-amine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyladamantan-2-amine is sourced from PubChem (CID 43223221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).