(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine

C13H27N — CID 54597401

IUPAC(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine
SMILESC=C[C@H](C)CCCC(CC)CCCN
InChIInChI=1S/C13H27N/c1-4-12(3)8-6-9-13(5-2)10-7-11-14/h4,12-13H,1,5-11,14H2,2-3H3/t12-,13?/m0/s1
InChIKeyKBOFGQNBCHAWGS-UEWDXFNNSA-N
MW197.37 g/mol
LogP3.74
Rot. Bonds9

About (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine

(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine (PubChem CID 54597401) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine.

Molecular Properties

Compound Name(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine
PubChem CID54597401
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine
SMILESC=C[C@H](C)CCCC(CC)CCCN
InChIInChI=1S/C13H27N/c1-4-12(3)8-6-9-13(5-2)10-7-11-14/h4,12-13H,1,5-11,14H2,2-3H3/t12-,13?/m0/s1
InChIKeyKBOFGQNBCHAWGS-UEWDXFNNSA-N
XLogP3.74
TPSA26.02 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 ≤ 53.74
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 (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine?
The IUPAC name of (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine (CID 54597401) is (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine.
What is the SMILES notation for (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine?
The canonical SMILES for (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine is C=C[C@H](C)CCCC(CC)CCCN.
What is the InChIKey of (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine?
The InChIKey is KBOFGQNBCHAWGS-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H27N/c1-4-12(3)8-6-9-13(5-2)10-7-11-14/h4,12-13H,1,5-11,14H2,2-3H3/t12-,13?/m0/s1.
What are the key properties of (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine?
(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,8R)-4-ethyl-8-methyldec-9-en-1-amine is sourced from PubChem (CID 54597401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).