(Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine

C14H27NO — CID 142883730

IUPAC(Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine
SMILESC=C(/C=C(\OC)[C@H](N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-10(13(2,3)4)9-11(16-8)12(15)14(5,6)7/h9,12H,1,15H2,2-8H3/b11-9-/t12-/m0/s1
InChIKeyLOAYGJMKIWTWMJ-MMRAYRKESA-N
MW225.38 g/mol
LogP3.49
Rot. Bonds3

About (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine

(Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine (PubChem CID 142883730) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine.

Molecular Properties

Compound Name(Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine
PubChem CID142883730
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine
SMILESC=C(/C=C(\OC)[C@H](N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-10(13(2,3)4)9-11(16-8)12(15)14(5,6)7/h9,12H,1,15H2,2-8H3/b11-9-/t12-/m0/s1
InChIKeyLOAYGJMKIWTWMJ-MMRAYRKESA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine?
The IUPAC name of (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine (CID 142883730) is (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine.
What is the SMILES notation for (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine?
The canonical SMILES for (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine is C=C(/C=C(\OC)[C@H](N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine?
The InChIKey is LOAYGJMKIWTWMJ-MMRAYRKESA-N. The full InChI is InChI=1S/C14H27NO/c1-10(13(2,3)4)9-11(16-8)12(15)14(5,6)7/h9,12H,1,15H2,2-8H3/b11-9-/t12-/m0/s1.
What are the key properties of (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine?
(Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine has a molecular weight of 225.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-4-methoxy-2,2,7,7-tetramethyl-6-methylideneoct-4-en-3-amine is sourced from PubChem (CID 142883730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).