(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine

C14H23N — CID 126592719

IUPAC(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine
SMILES[H]/N=C(\CCCC[C@H](C)C(=C)C)C(C)=C=C
InChIInChI=1S/C14H23N/c1-6-12(4)14(15)10-8-7-9-13(5)11(2)3/h13,15H,1-2,7-10H2,3-5H3/b15-14+/t13-/m0/s1
InChIKeyRPYWVBVPEGILDH-NPIURYIMSA-N
MW205.34 g/mol
LogP4.51
Rot. Bonds7

About (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine

(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine (PubChem CID 126592719) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine.

Molecular Properties

Compound Name(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine
PubChem CID126592719
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine
SMILES[H]/N=C(\CCCC[C@H](C)C(=C)C)C(C)=C=C
InChIInChI=1S/C14H23N/c1-6-12(4)14(15)10-8-7-9-13(5)11(2)3/h13,15H,1-2,7-10H2,3-5H3/b15-14+/t13-/m0/s1
InChIKeyRPYWVBVPEGILDH-NPIURYIMSA-N
XLogP4.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine?
The IUPAC name of (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine (CID 126592719) is (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine.
What is the SMILES notation for (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine?
The canonical SMILES for (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine is [H]/N=C(\CCCC[C@H](C)C(=C)C)C(C)=C=C.
What is the InChIKey of (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine?
The InChIKey is RPYWVBVPEGILDH-NPIURYIMSA-N. The full InChI is InChI=1S/C14H23N/c1-6-12(4)14(15)10-8-7-9-13(5)11(2)3/h13,15H,1-2,7-10H2,3-5H3/b15-14+/t13-/m0/s1.
What are the key properties of (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine?
(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine has a molecular weight of 205.34 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine is sourced from PubChem (CID 126592719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).