N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine

C16H37N4P — CID 170006633

IUPACN-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(=NC(C)(C)C)(N(CC)CC)N1CCCC1
InChIInChI=1S/C16H37N4P/c1-8-18(9-2)21(17-16(5,6)7,19(10-3)11-4)20-14-12-13-15-20/h8-15H2,1-7H3
InChIKeyIBIDUMLMJCJRDY-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.51
Rot. Bonds7

About N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine

N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine (PubChem CID 170006633) has the molecular formula C16H37N4P and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine
PubChem CID170006633
Molecular FormulaC16H37N4P
Molecular Weight316.47 g/mol
Exact Mass316.28
IUPAC NameN-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(=NC(C)(C)C)(N(CC)CC)N1CCCC1
InChIInChI=1S/C16H37N4P/c1-8-18(9-2)21(17-16(5,6)7,19(10-3)11-4)20-14-12-13-15-20/h8-15H2,1-7H3
InChIKeyIBIDUMLMJCJRDY-UHFFFAOYSA-N
XLogP4.51
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane
CID 15249816
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
N,N-diethylpyrrolidin-1-amine
CID 14627499
1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine
CID 155467667
N-ethyl-N-methylpyrrolidin-1-amine
CID 19931071
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
2,4-dimethyl-4-piperidin-1-ylpentan-2-amine
CID 143013617
2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol
CID 57290446
1-diethoxyphosphorylpyrrolidine
CID 10750826
2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 107911291
1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane
CID 157482499

Frequently Asked Questions

What is the IUPAC name of N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine (CID 170006633) is N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine is CCN(CC)P(=NC(C)(C)C)(N(CC)CC)N1CCCC1.
What is the InChIKey of N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine?
The InChIKey is IBIDUMLMJCJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N4P/c1-8-18(9-2)21(17-16(5,6)7,19(10-3)11-4)20-14-12-13-15-20/h8-15H2,1-7H3.
What are the key properties of N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine?
N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine has a molecular weight of 316.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 170006633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).