(E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol

C8H18N2O — CID 130374523

IUPAC(E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol
SMILESCNC(C/C=C/CN)[C@@H](C)O
InChIInChI=1S/C8H18N2O/c1-7(11)8(10-2)5-3-4-6-9/h3-4,7-8,10-11H,5-6,9H2,1-2H3/b4-3+/t7-,8?/m1/s1
InChIKeySZYJQSPUTVWGQW-BQYGUILZSA-N
MW158.24 g/mol
LogP-0.14
Rot. Bonds5

About (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol

(E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol (PubChem CID 130374523) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol.

Molecular Properties

Compound Name(E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol
PubChem CID130374523
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol
SMILESCNC(C/C=C/CN)[C@@H](C)O
InChIInChI=1S/C8H18N2O/c1-7(11)8(10-2)5-3-4-6-9/h3-4,7-8,10-11H,5-6,9H2,1-2H3/b4-3+/t7-,8?/m1/s1
InChIKeySZYJQSPUTVWGQW-BQYGUILZSA-N
XLogP-0.14
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol?
The IUPAC name of (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol (CID 130374523) is (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol.
What is the SMILES notation for (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol?
The canonical SMILES for (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol is CNC(C/C=C/CN)[C@@H](C)O.
What is the InChIKey of (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol?
The InChIKey is SZYJQSPUTVWGQW-BQYGUILZSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(11)8(10-2)5-3-4-6-9/h3-4,7-8,10-11H,5-6,9H2,1-2H3/b4-3+/t7-,8?/m1/s1.
What are the key properties of (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol?
(E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol has a molecular weight of 158.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol is sourced from PubChem (CID 130374523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).