3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol

C20H39NO — CID 170419379

IUPAC3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol
SMILESCCCCC(C(C)O)C(C)NCC1CC/C=C\CCC(C)C1
InChIInChI=1S/C20H39NO/c1-5-6-13-20(18(4)22)17(3)21-15-19-12-10-8-7-9-11-16(2)14-19/h7-8,16-22H,5-6,9-15H2,1-4H3/b8-7-
InChIKeyFDJLXGZMNKMFNI-FPLPWBNLSA-N
MW309.54 g/mol
LogP4.92
Rot. Bonds8

About 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol

3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol (PubChem CID 170419379) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol.

Molecular Properties

Compound Name3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol
PubChem CID170419379
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol
SMILESCCCCC(C(C)O)C(C)NCC1CC/C=C\CCC(C)C1
InChIInChI=1S/C20H39NO/c1-5-6-13-20(18(4)22)17(3)21-15-19-12-10-8-7-9-11-16(2)14-19/h7-8,16-22H,5-6,9-15H2,1-4H3/b8-7-
InChIKeyFDJLXGZMNKMFNI-FPLPWBNLSA-N
XLogP4.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol?
The IUPAC name of 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol (CID 170419379) is 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol.
What is the SMILES notation for 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol?
The canonical SMILES for 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol is CCCCC(C(C)O)C(C)NCC1CC/C=C\CCC(C)C1.
What is the InChIKey of 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol?
The InChIKey is FDJLXGZMNKMFNI-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H39NO/c1-5-6-13-20(18(4)22)17(3)21-15-19-12-10-8-7-9-11-16(2)14-19/h7-8,16-22H,5-6,9-15H2,1-4H3/b8-7-.
What are the key properties of 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol?
3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol has a molecular weight of 309.54 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol is sourced from PubChem (CID 170419379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).