(2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine

C13H29NP2 — CID 140850167

IUPAC(2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine
SMILESCCP(CC)N(C(C)C)P1[C@H](C)CC[C@H]1C
InChIInChI=1S/C13H29NP2/c1-7-15(8-2)14(11(3)4)16-12(5)9-10-13(16)6/h11-13H,7-10H2,1-6H3/t12-,13-/m1/s1
InChIKeyPUTJZMDDSJULED-CHWSQXEVSA-N
MW261.33 g/mol
LogP5.10
Rot. Bonds5

About (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine

(2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine (PubChem CID 140850167) has the molecular formula C13H29NP2 and a molecular weight of 261.33 g/mol. Its IUPAC name is (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine.

Molecular Properties

Compound Name(2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine
PubChem CID140850167
Molecular FormulaC13H29NP2
Molecular Weight261.33 g/mol
Exact Mass261.18
IUPAC Name(2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine
SMILESCCP(CC)N(C(C)C)P1[C@H](C)CC[C@H]1C
InChIInChI=1S/C13H29NP2/c1-7-15(8-2)14(11(3)4)16-12(5)9-10-13(16)6/h11-13H,7-10H2,1-6H3/t12-,13-/m1/s1
InChIKeyPUTJZMDDSJULED-CHWSQXEVSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.33
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine?
The IUPAC name of (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine (CID 140850167) is (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine.
What is the SMILES notation for (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine?
The canonical SMILES for (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine is CCP(CC)N(C(C)C)P1[C@H](C)CC[C@H]1C.
What is the InChIKey of (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine?
The InChIKey is PUTJZMDDSJULED-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H29NP2/c1-7-15(8-2)14(11(3)4)16-12(5)9-10-13(16)6/h11-13H,7-10H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine?
(2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-diethylphosphanyl-2,5-dimethyl-N-propan-2-ylphospholan-1-amine is sourced from PubChem (CID 140850167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).