N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine

C24H38NP — CID 58140352

IUPACN-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine
SMILESCC1(C)CC(C)(C)C2=CC(=P(C)(C)NC34CC5CC(CC(C5)C3)C4)C=C21
InChIInChI=1S/C24H38NP/c1-22(2)15-23(3,4)21-11-19(10-20(21)22)26(5,6)25-24-12-16-7-17(13-24)9-18(8-16)14-24/h10-11,16-18,25H,7-9,12-15H2,1-6H3
InChIKeyWOMQBQPCHISMCR-UHFFFAOYSA-N
MW371.55 g/mol
LogP6.23
Rot. Bonds2

About N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine

N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine (PubChem CID 58140352) has the molecular formula C24H38NP and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine
PubChem CID58140352
Molecular FormulaC24H38NP
Molecular Weight371.55 g/mol
Exact Mass371.27
IUPAC NameN-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine
SMILESCC1(C)CC(C)(C)C2=CC(=P(C)(C)NC34CC5CC(CC(C5)C3)C4)C=C21
InChIInChI=1S/C24H38NP/c1-22(2)15-23(3,4)21-11-19(10-20(21)22)26(5,6)25-24-12-16-7-17(13-24)9-18(8-16)14-24/h10-11,16-18,25H,7-9,12-15H2,1-6H3
InChIKeyWOMQBQPCHISMCR-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine?
The IUPAC name of N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine (CID 58140352) is N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine.
What is the SMILES notation for N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine?
The canonical SMILES for N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine is CC1(C)CC(C)(C)C2=CC(=P(C)(C)NC34CC5CC(CC(C5)C3)C4)C=C21.
What is the InChIKey of N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine?
The InChIKey is WOMQBQPCHISMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38NP/c1-22(2)15-23(3,4)21-11-19(10-20(21)22)26(5,6)25-24-12-16-7-17(13-24)9-18(8-16)14-24/h10-11,16-18,25H,7-9,12-15H2,1-6H3.
What are the key properties of N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine?
N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine has a molecular weight of 371.55 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine is sourced from PubChem (CID 58140352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).