N-hexyladamantan-2-amine

C16H29N — CID 43406596

IUPACN-hexyladamantan-2-amine
SMILESCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-17-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-17H,2-11H2,1H3
InChIKeyUGRSLOPUSKZNAS-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds6

About N-hexyladamantan-2-amine

N-hexyladamantan-2-amine (PubChem CID 43406596) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-hexyladamantan-2-amine.

Molecular Properties

Compound NameN-hexyladamantan-2-amine
PubChem CID43406596
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-hexyladamantan-2-amine
SMILESCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-17-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-17H,2-11H2,1H3
InChIKeyUGRSLOPUSKZNAS-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
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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Related Compounds

N-(4-methylsulfanylbutyl)adamantan-2-amine
CID 115721405
adamantane;hexane
CID 157109132
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
2-(2-adamantylamino)-N-methylethanesulfonamide
CID 102676172
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
bicyclo[2.2.1]heptane;heptane
CID 161465006
N-(3-methoxy-3-methylbutyl)adamantan-2-amine
CID 106675234
2-N-(1-adamantyl)-4-N-(2-adamantyl)-6-N-octyl-1,3,5-triazine-2,4,6-triamine
CID 23816126
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
N-tetradecyloxiran-2-amine
CID 19419381

Frequently Asked Questions

What is the IUPAC name of N-hexyladamantan-2-amine?
The IUPAC name of N-hexyladamantan-2-amine (CID 43406596) is N-hexyladamantan-2-amine.
What is the SMILES notation for N-hexyladamantan-2-amine?
The canonical SMILES for N-hexyladamantan-2-amine is CCCCCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-hexyladamantan-2-amine?
The InChIKey is UGRSLOPUSKZNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-3-4-5-6-17-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-17H,2-11H2,1H3.
What are the key properties of N-hexyladamantan-2-amine?
N-hexyladamantan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyladamantan-2-amine is sourced from PubChem (CID 43406596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).