(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine

C7H16NOP — CID 139394309

IUPAC(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine
SMILESC[C@@H]1CO[C@H](C)C(NP)C1
InChIInChI=1S/C7H16NOP/c1-5-3-7(8-10)6(2)9-4-5/h5-8H,3-4,10H2,1-2H3/t5-,6+,7?/m0/s1
InChIKeyCKLJNKOROHWDCV-GFCOJPQKSA-N
MW161.18 g/mol
LogP1.18
Rot. Bonds1

About (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine

(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine (PubChem CID 139394309) has the molecular formula C7H16NOP and a molecular weight of 161.18 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine
PubChem CID139394309
Molecular FormulaC7H16NOP
Molecular Weight161.18 g/mol
Exact Mass161.10
IUPAC Name(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine
SMILESC[C@@H]1CO[C@H](C)C(NP)C1
InChIInChI=1S/C7H16NOP/c1-5-3-7(8-10)6(2)9-4-5/h5-8H,3-4,10H2,1-2H3/t5-,6+,7?/m0/s1
InChIKeyCKLJNKOROHWDCV-GFCOJPQKSA-N
XLogP1.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine?
The IUPAC name of (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine (CID 139394309) is (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine?
The canonical SMILES for (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine is C[C@@H]1CO[C@H](C)C(NP)C1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine?
The InChIKey is CKLJNKOROHWDCV-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H16NOP/c1-5-3-7(8-10)6(2)9-4-5/h5-8H,3-4,10H2,1-2H3/t5-,6+,7?/m0/s1.
What are the key properties of (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine?
(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine has a molecular weight of 161.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine is sourced from PubChem (CID 139394309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).