(3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine

C13H27N — CID 89067329

IUPAC(3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine
SMILESC=C[C@H](C)CCC[C@@H](CC)CCNC
InChIInChI=1S/C13H27N/c1-5-12(3)8-7-9-13(6-2)10-11-14-4/h5,12-14H,1,6-11H2,2-4H3/t12-,13+/m0/s1
InChIKeyLAFUOFDZWSWLTF-QWHCGFSZSA-N
MW197.37 g/mol
LogP3.61
Rot. Bonds9

About (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine

(3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine (PubChem CID 89067329) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine.

Molecular Properties

Compound Name(3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine
PubChem CID89067329
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine
SMILESC=C[C@H](C)CCC[C@@H](CC)CCNC
InChIInChI=1S/C13H27N/c1-5-12(3)8-7-9-13(6-2)10-11-14-4/h5,12-14H,1,6-11H2,2-4H3/t12-,13+/m0/s1
InChIKeyLAFUOFDZWSWLTF-QWHCGFSZSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine?
The IUPAC name of (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine (CID 89067329) is (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine.
What is the SMILES notation for (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine?
The canonical SMILES for (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine is C=C[C@H](C)CCC[C@@H](CC)CCNC.
What is the InChIKey of (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine?
The InChIKey is LAFUOFDZWSWLTF-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H27N/c1-5-12(3)8-7-9-13(6-2)10-11-14-4/h5,12-14H,1,6-11H2,2-4H3/t12-,13+/m0/s1.
What are the key properties of (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine?
(3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3-ethyl-N,7-dimethylnon-8-en-1-amine is sourced from PubChem (CID 89067329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).