N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine

C21H35N2OP — CID 134978419

IUPACN-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine
SMILESCP(=O)(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H35N2OP/c1-25(24,22-20-8-14-2-15(9-20)4-16(3-14)10-20)23-21-11-17-5-18(12-21)7-19(6-17)13-21/h14-19H,2-13H2,1H3,(H2,22,23,24)
InChIKeyVNPKXZQLJCHGHG-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.93
Rot. Bonds4

About N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine

N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine (PubChem CID 134978419) has the molecular formula C21H35N2OP and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine
PubChem CID134978419
Molecular FormulaC21H35N2OP
Molecular Weight362.50 g/mol
Exact Mass362.25
IUPAC NameN-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine
SMILESCP(=O)(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H35N2OP/c1-25(24,22-20-8-14-2-15(9-20)4-16(3-14)10-20)23-21-11-17-5-18(12-21)7-19(6-17)13-21/h14-19H,2-13H2,1H3,(H2,22,23,24)
InChIKeyVNPKXZQLJCHGHG-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyladamantan-1-amine
CID 19476
N-(1-adamantyl)methanesulfonamide
CID 2932031
N-[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]adamantan-1-amine
CID 58140352
N-methyltricyclo[4.3.1.13,8]undecan-1-amine
CID 123976762
N-dimethylsilyladamantan-1-amine
CID 151865099
1-(1-adamantyl)-3-(dimethyl-λ4-sulfanylidene)urea
CID 176801954
CID 140659618
CID 140659618
N'-(1-adamantyl)acetohydrazide
CID 57252172
2-(1-adamantyl)-1,1-dimethylhydrazine;hydrochloride
CID 70525718
1-(dimethylsulfamoylamino)adamantane
CID 35326743
2-(1-adamantyl)-1,1-diethylhydrazine
CID 57132734
(2R)-2-(1-adamantylamino)propanamide
CID 9358538

Frequently Asked Questions

What is the IUPAC name of N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine?
The IUPAC name of N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine (CID 134978419) is N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine.
What is the SMILES notation for N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine?
The canonical SMILES for N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine is CP(=O)(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine?
The InChIKey is VNPKXZQLJCHGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N2OP/c1-25(24,22-20-8-14-2-15(9-20)4-16(3-14)10-20)23-21-11-17-5-18(12-21)7-19(6-17)13-21/h14-19H,2-13H2,1H3,(H2,22,23,24).
What are the key properties of N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine?
N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine has a molecular weight of 362.50 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-adamantylamino)-methylphosphoryl]adamantan-1-amine is sourced from PubChem (CID 134978419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).