N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C22H48NOP — CID 159345248

IUPACN-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[3H]CCCCCCCCCCCCCCCOP(C)N(C(C)C)C(C)C
InChIInChI=1S/C22H48NOP/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(6)23(21(2)3)22(4)5/h21-22H,7-20H2,1-6H3/i1T
InChIKeyWCQVNLBMJMVDPU-CNRUNOGKSA-N
MW375.61 g/mol
LogP8.15
Rot. Bonds19

About N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 159345248) has the molecular formula C22H48NOP and a molecular weight of 375.61 g/mol. Its IUPAC name is N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID159345248
Molecular FormulaC22H48NOP
Molecular Weight375.61 g/mol
Exact Mass375.36
IUPAC NameN-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[3H]CCCCCCCCCCCCCCCOP(C)N(C(C)C)C(C)C
InChIInChI=1S/C22H48NOP/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(6)23(21(2)3)22(4)5/h21-22H,7-20H2,1-6H3/i1T
InChIKeyWCQVNLBMJMVDPU-CNRUNOGKSA-N
XLogP8.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.61
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 139428185
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293
1-tritioheptane
CID 59965144
O-[2-[[di(propan-2-yl)amino]-[6-(heptyldisulfanyl)hexoxy]phosphanyl]oxyethyl]hydroxylamine
CID 59693352
decoxy(octoxy)phosphinothious acid
CID 54152589
triheptadecyl phosphite
CID 23435031
lithium dioctyl phosphite
CID 174541245
N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine;N-dihexoxyphosphanyl-N-propan-2-ylpropan-2-amine;hexan-1-ol;N-propan-2-ylpropan-2-amine
CID 160670872
hexyl methyl hydrogen phosphite
CID 22731198
chloro(didodecoxy)phosphane
CID 54405346
disodium;hexyl phosphite
CID 139691830
diethyl(hexoxy)phosphane
CID 87283104

Frequently Asked Questions

What is the IUPAC name of N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 159345248) is N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is [3H]CCCCCCCCCCCCCCCOP(C)N(C(C)C)C(C)C.
What is the InChIKey of N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is WCQVNLBMJMVDPU-CNRUNOGKSA-N. The full InChI is InChI=1S/C22H48NOP/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(6)23(21(2)3)22(4)5/h21-22H,7-20H2,1-6H3/i1T.
What are the key properties of N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 375.61 g/mol, XLogP of 8.15, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 159345248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).