N-(3-methylsulfanylpropyl)adamantan-2-amine

C14H25NS — CID 43225509

IUPACN-(3-methylsulfanylpropyl)adamantan-2-amine
SMILESCSCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NS/c1-16-4-2-3-15-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,2-9H2,1H3
InChIKeyCZYMCUVXSOEIEH-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.15
Rot. Bonds5

About N-(3-methylsulfanylpropyl)adamantan-2-amine

N-(3-methylsulfanylpropyl)adamantan-2-amine (PubChem CID 43225509) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)adamantan-2-amine
PubChem CID43225509
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-(3-methylsulfanylpropyl)adamantan-2-amine
SMILESCSCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25NS/c1-16-4-2-3-15-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,2-9H2,1H3
InChIKeyCZYMCUVXSOEIEH-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methylsulfanylpropyl)adamantan-2-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)adamantan-2-amine (CID 43225509) is N-(3-methylsulfanylpropyl)adamantan-2-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)adamantan-2-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)adamantan-2-amine is CSCCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3-methylsulfanylpropyl)adamantan-2-amine?
The InChIKey is CZYMCUVXSOEIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-16-4-2-3-15-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,2-9H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)adamantan-2-amine?
N-(3-methylsulfanylpropyl)adamantan-2-amine has a molecular weight of 239.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)adamantan-2-amine is sourced from PubChem (CID 43225509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).