(NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine

C15H25N3O — CID 11391402

IUPAC(NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine
SMILESCCCN(CCC)[C@H]1CCn2c(/C=N/O)ccc2C1
InChIInChI=1S/C15H25N3O/c1-3-8-17(9-4-2)13-7-10-18-14(11-13)5-6-15(18)12-16-19/h5-6,12-13,19H,3-4,7-11H2,1-2H3/b16-12+/t13-/m0/s1
InChIKeyPJDIIZOQXMDDPU-HKJJFUAXSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds6

About (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine

(NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine (PubChem CID 11391402) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine
PubChem CID11391402
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine
SMILESCCCN(CCC)[C@H]1CCn2c(/C=N/O)ccc2C1
InChIInChI=1S/C15H25N3O/c1-3-8-17(9-4-2)13-7-10-18-14(11-13)5-6-15(18)12-16-19/h5-6,12-13,19H,3-4,7-11H2,1-2H3/b16-12+/t13-/m0/s1
InChIKeyPJDIIZOQXMDDPU-HKJJFUAXSA-N
XLogP2.73
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine (CID 11391402) is (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine is CCCN(CCC)[C@H]1CCn2c(/C=N/O)ccc2C1.
What is the InChIKey of (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine?
The InChIKey is PJDIIZOQXMDDPU-HKJJFUAXSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-8-17(9-4-2)13-7-10-18-14(11-13)5-6-15(18)12-16-19/h5-6,12-13,19H,3-4,7-11H2,1-2H3/b16-12+/t13-/m0/s1.
What are the key properties of (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine?
(NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine has a molecular weight of 263.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 11391402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).