3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile

C9H22N3O2P — CID 22988620

IUPAC3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile
SMILESCC(C)N(C(C)C)P(N)(O)(O)CCC#N
InChIInChI=1S/C9H22N3O2P/c1-8(2)12(9(3)4)15(11,13,14)7-5-6-10/h8-9,13-14H,5,7,11H2,1-4H3
InChIKeyKRRGWXQMGCKBMD-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.18
Rot. Bonds5

About 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile

3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile (PubChem CID 22988620) has the molecular formula C9H22N3O2P and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile.

Molecular Properties

Compound Name3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile
PubChem CID22988620
Molecular FormulaC9H22N3O2P
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile
SMILESCC(C)N(C(C)C)P(N)(O)(O)CCC#N
InChIInChI=1S/C9H22N3O2P/c1-8(2)12(9(3)4)15(11,13,14)7-5-6-10/h8-9,13-14H,5,7,11H2,1-4H3
InChIKeyKRRGWXQMGCKBMD-UHFFFAOYSA-N
XLogP1.18
TPSA93.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile?
The IUPAC name of 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile (CID 22988620) is 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile.
What is the SMILES notation for 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile?
The canonical SMILES for 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile is CC(C)N(C(C)C)P(N)(O)(O)CCC#N.
What is the InChIKey of 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile?
The InChIKey is KRRGWXQMGCKBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N3O2P/c1-8(2)12(9(3)4)15(11,13,14)7-5-6-10/h8-9,13-14H,5,7,11H2,1-4H3.
What are the key properties of 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile?
3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile has a molecular weight of 235.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile is sourced from PubChem (CID 22988620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).