(Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine

C16H25N — CID 167248845

IUPAC(Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine
SMILESC#CC(C)(C)C(C)(C)C(=C)/C(C=C)=C(/C)NC
InChIInChI=1S/C16H25N/c1-10-14(13(4)17-9)12(3)16(7,8)15(5,6)11-2/h2,10,17H,1,3H2,4-9H3/b14-13-
InChIKeyVHERMPDSFKVIQV-YPKPFQOOSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds5

About (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine

(Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine (PubChem CID 167248845) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine.

Molecular Properties

Compound Name(Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine
PubChem CID167248845
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine
SMILESC#CC(C)(C)C(C)(C)C(=C)/C(C=C)=C(/C)NC
InChIInChI=1S/C16H25N/c1-10-14(13(4)17-9)12(3)16(7,8)15(5,6)11-2/h2,10,17H,1,3H2,4-9H3/b14-13-
InChIKeyVHERMPDSFKVIQV-YPKPFQOOSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine?
The IUPAC name of (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine (CID 167248845) is (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine.
What is the SMILES notation for (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine?
The canonical SMILES for (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine is C#CC(C)(C)C(C)(C)C(=C)/C(C=C)=C(/C)NC.
What is the InChIKey of (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine?
The InChIKey is VHERMPDSFKVIQV-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H25N/c1-10-14(13(4)17-9)12(3)16(7,8)15(5,6)11-2/h2,10,17H,1,3H2,4-9H3/b14-13-.
What are the key properties of (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine?
(Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-N,5,5,6,6-pentamethyl-4-methylideneoct-2-en-7-yn-2-amine is sourced from PubChem (CID 167248845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).