(3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine

C15H27N — CID 134478141

IUPAC(3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine
SMILESC=C(C)C(=C)CCC(C)(C)[C@H](C)/C(C)=N/C
InChIInChI=1S/C15H27N/c1-11(2)12(3)9-10-15(6,7)13(4)14(5)16-8/h13H,1,3,9-10H2,2,4-8H3/b16-14+/t13-/m1/s1
InChIKeyXAMVHEXBJVAHPA-ZPTIMJQQSA-N
MW221.39 g/mol
LogP4.65
Rot. Bonds6

About (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine

(3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine (PubChem CID 134478141) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine.

Molecular Properties

Compound Name(3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine
PubChem CID134478141
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine
SMILESC=C(C)C(=C)CCC(C)(C)[C@H](C)/C(C)=N/C
InChIInChI=1S/C15H27N/c1-11(2)12(3)9-10-15(6,7)13(4)14(5)16-8/h13H,1,3,9-10H2,2,4-8H3/b16-14+/t13-/m1/s1
InChIKeyXAMVHEXBJVAHPA-ZPTIMJQQSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine?
The IUPAC name of (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine (CID 134478141) is (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine.
What is the SMILES notation for (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine?
The canonical SMILES for (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine is C=C(C)C(=C)CCC(C)(C)[C@H](C)/C(C)=N/C.
What is the InChIKey of (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine?
The InChIKey is XAMVHEXBJVAHPA-ZPTIMJQQSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)12(3)9-10-15(6,7)13(4)14(5)16-8/h13H,1,3,9-10H2,2,4-8H3/b16-14+/t13-/m1/s1.
What are the key properties of (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine?
(3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine has a molecular weight of 221.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine is sourced from PubChem (CID 134478141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).