N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine

C15H32N3P — CID 140710208

IUPACN-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[C-]#[N+]CCP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C15H32N3P/c1-12(2)17(13(3)4)19(11-10-16-9)18(14(5)6)15(7)8/h12-15H,10-11H2,1-8H3
InChIKeyBCVOZWPWMWIJAG-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.46
Rot. Bonds8

About N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 140710208) has the molecular formula C15H32N3P and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID140710208
Molecular FormulaC15H32N3P
Molecular Weight285.42 g/mol
Exact Mass285.23
IUPAC NameN-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[C-]#[N+]CCP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C15H32N3P/c1-12(2)17(13(3)4)19(11-10-16-9)18(14(5)6)15(7)8/h12-15H,10-11H2,1-8H3
InChIKeyBCVOZWPWMWIJAG-UHFFFAOYSA-N
XLogP4.46
TPSA10.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 140710208) is N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine is [C-]#[N+]CCP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is BCVOZWPWMWIJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N3P/c1-12(2)17(13(3)4)19(11-10-16-9)18(14(5)6)15(7)8/h12-15H,10-11H2,1-8H3.
What are the key properties of N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 140710208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).